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Hydroxybenzoic Acid Derivatives

Organic compounds that are directly derived from hydroxybenzoic acid; hydroxybenzoic acid consists of benzoic acid with a hydroxyl group substitution.
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Poids moléculaire (g/mol): 160.104 Numéro MDL: MFCD00002440 Clé InChI: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl CID PubChem: 16760658 ChEBI: CHEBI:9180 Nom IUPAC: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Poids moléculaire (g/mol) 160.104
Synonyme sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
Numéro MDL MFCD00002440
CAS 54-21-7
CID PubChem 16760658
ChEBI CHEBI:9180
Nom IUPAC sodium;2-hydroxybenzoate
Clé InChI ABBQHOQBGMUPJH-UHFFFAOYSA-M
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Formule moléculaire C7H5NaO3
2
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Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Poids moléculaire (g/mol): 160.104 Numéro MDL: MFCD00002440 Clé InChI: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl CID PubChem: 16760658 ChEBI: CHEBI:9180 Nom IUPAC: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Poids moléculaire (g/mol) 160.104
Synonyme sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
Numéro MDL MFCD00002440
CAS 54-21-7
CID PubChem 16760658
ChEBI CHEBI:9180
Nom IUPAC sodium;2-hydroxybenzoate
Clé InChI ABBQHOQBGMUPJH-UHFFFAOYSA-M
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Formule moléculaire C7H5NaO3
3

Methyl 3,5-dibromobenzoate, 98%, Thermo Scientific Chemicals

CAS: 51329-15-8 Formule moléculaire: C8H6Br2O2 Poids moléculaire (g/mol): 293.94 Numéro MDL: MFCD00082648 Clé InChI: GSMAWUZTAIOCPL-UHFFFAOYSA-N Synonyme: methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 CID PubChem: 621923 Nom IUPAC: methyl 3,5-dibromobenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1

Poids moléculaire (g/mol) 293.94
Synonyme methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770
Numéro MDL MFCD00082648
CAS 51329-15-8
CID PubChem 621923
Nom IUPAC methyl 3,5-dibromobenzoate
Clé InChI GSMAWUZTAIOCPL-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(Br)=CC(Br)=C1
Formule moléculaire C8H6Br2O2
4

2-Chlorobenzamide, 98%

CAS: 609-66-5 Formule moléculaire: C7H6ClNO Poids moléculaire (g/mol): 155.58 Numéro MDL: MFCD00007973 Clé InChI: RBGDLYUEXLWQBZ-UHFFFAOYSA-N Synonyme: o-chlorobenzamide,benzamide, 2-chloro,benzamide, o-chloro,o-chloro-benzamide,unii-ke1m5i9i32,chlorobenzamide,pubchem3617,acmc-1aupu,2-chlorobenzamide,dsstox_cid_30850 CID PubChem: 69111 Nom IUPAC: 2-chlorobenzamide SMILES: NC(=O)C1=CC=CC=C1Cl

Poids moléculaire (g/mol) 155.58
Synonyme o-chlorobenzamide,benzamide, 2-chloro,benzamide, o-chloro,o-chloro-benzamide,unii-ke1m5i9i32,chlorobenzamide,pubchem3617,acmc-1aupu,2-chlorobenzamide,dsstox_cid_30850
Numéro MDL MFCD00007973
CAS 609-66-5
CID PubChem 69111
Nom IUPAC 2-chlorobenzamide
Clé InChI RBGDLYUEXLWQBZ-UHFFFAOYSA-N
SMILES NC(=O)C1=CC=CC=C1Cl
Formule moléculaire C7H6ClNO
5

4-Fluorobenzoyl chloride, 98%

CAS: 403-43-0 Formule moléculaire: C7H4ClFO Poids moléculaire (g/mol): 158.56 Numéro MDL: MFCD00000684 Clé InChI: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonyme: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride CID PubChem: 67879 Nom IUPAC: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

Poids moléculaire (g/mol) 158.56
Synonyme benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride
Numéro MDL MFCD00000684
CAS 403-43-0
CID PubChem 67879
Nom IUPAC 4-fluorobenzoyl chloride
Clé InChI CZKLEJHVLCMVQR-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)Cl)F
Formule moléculaire C7H4ClFO
6

3-Bromo-5-iodobenzoic acid, 97%

CAS: 188815-32-9 Formule moléculaire: C7H4BrIO2 Poids moléculaire (g/mol): 326.915 Numéro MDL: MFCD00191851 Clé InChI: MKJBJYCBKXPQSY-UHFFFAOYSA-N Synonyme: 5-bromo-3-iodobenzoic acid,3-bromo-5-iodo-benzoic acid,3-bromo-5-iodobenzoicacid,benzoic acid, 3-bromo-5-iodo,3-iodo-5-bromobenzoic acid,pubchem3788,acmc-209erv,3-bromo-5-iodobenzoic aicd,3-bromo-5-iodo benzoic acid,5-iodo-3-bromo-benzoic acid CID PubChem: 5182520 Nom IUPAC: 3-bromo-5-iodobenzoic acid SMILES: C1=C(C=C(C=C1Br)I)C(=O)O

Poids moléculaire (g/mol) 326.915
Synonyme 5-bromo-3-iodobenzoic acid,3-bromo-5-iodo-benzoic acid,3-bromo-5-iodobenzoicacid,benzoic acid, 3-bromo-5-iodo,3-iodo-5-bromobenzoic acid,pubchem3788,acmc-209erv,3-bromo-5-iodobenzoic aicd,3-bromo-5-iodo benzoic acid,5-iodo-3-bromo-benzoic acid
Numéro MDL MFCD00191851
CAS 188815-32-9
CID PubChem 5182520
Nom IUPAC 3-bromo-5-iodobenzoic acid
Clé InChI MKJBJYCBKXPQSY-UHFFFAOYSA-N
SMILES C1=C(C=C(C=C1Br)I)C(=O)O
Formule moléculaire C7H4BrIO2
7

3-Iodobenzoic acid, 98%

CAS: 618-51-9 Formule moléculaire: C7H5IO2 Poids moléculaire (g/mol): 248.01 Numéro MDL: MFCD00002496 Clé InChI: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonyme: m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene CID PubChem: 12060 Nom IUPAC: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O

Poids moléculaire (g/mol) 248.01
Synonyme m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene
Numéro MDL MFCD00002496
CAS 618-51-9
CID PubChem 12060
Nom IUPAC 3-iodobenzoic acid
Clé InChI KVBWBCRPWVKFQT-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)I)C(=O)O
Formule moléculaire C7H5IO2
8

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Poids moléculaire (g/mol) 172.56
Numéro RTECS SD9470000
Formule linéaire ClC6H4CO3H
ChEBI CHEBI:52091
% min. CAS 25.0
Forme physique Moist Powder
Gravité spécifique 0.56
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
Nom IUPAC 3-chlorobenzenecarboperoxoic acid
Clé InChI NHQDETIJWKXCTC-UHFFFAOYSA-N
Pourcentage de pureté 70-75%
% max. CAS 30.0
Note relative au nom 70 - 75%
Danger pour la santé 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
Danger pour la santé 1 GHS Signal Word: Danger
Danger pour la santé 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Poids de la formule 172.57
Formule moléculaire C7H5ClO3
Informations sur la solubilité Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Couleur White
Synonyme 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
Numéro MDL MFCD00002127
Numéro EINECS 213-322-3
CAS 7732-18-5
CID PubChem 70297
Point de fusion 92.0°C to 94.0°C
TSCA TSCA
Beilstein 09,IV,972
Plage de pourcentage du dosage di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
Densité 0.5600g/mL
9

2,4,6-Trichlorobenzoyl chloride, 98%

CAS: 4136-95-2 Formule moléculaire: C7H2Cl4O Poids moléculaire (g/mol): 243.89 Numéro MDL: MFCD00075323 Clé InChI: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonyme: 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride CID PubChem: 2733703 Nom IUPAC: 2,4,6-trichlorobenzoyl chloride SMILES: ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl

Poids moléculaire (g/mol) 243.89
Synonyme 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride
Numéro MDL MFCD00075323
CAS 4136-95-2
CID PubChem 2733703
Nom IUPAC 2,4,6-trichlorobenzoyl chloride
Clé InChI OZGSEIVTQLXWRO-UHFFFAOYSA-N
SMILES ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl
Formule moléculaire C7H2Cl4O
10

Oxyclozanide, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

11

2,4,6-Trichlorobenzoic acid, 94%

CAS: 50-43-1 Formule moléculaire: C7H3Cl3O2 Poids moléculaire (g/mol): 225.449 Numéro MDL: MFCD00060699 Clé InChI: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonyme: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f CID PubChem: 5764 Nom IUPAC: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

Poids moléculaire (g/mol) 225.449
Synonyme benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f
Numéro MDL MFCD00060699
CAS 50-43-1
CID PubChem 5764
Nom IUPAC 2,4,6-trichlorobenzoic acid
Clé InChI RAFFVQBMVYYTQS-UHFFFAOYSA-N
SMILES C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
Formule moléculaire C7H3Cl3O2
12

2-Bromo-4-fluorobenzoic acid, 98%

CAS: 1006-41-3 Formule moléculaire: C7H4BrFO2 Poids moléculaire (g/mol): 219.009 Numéro MDL: MFCD00055370 Clé InChI: RRKPMLZRLKTDQV-UHFFFAOYSA-N Synonyme: 2-bromo-4-fluorobenzoicacid,4-fluoro-2-bromobenzoic acid,2-bromo-4-fluoro-benzoic acid,benzoic acid, 2-bromo-4-fluoro,rarechem al bo 1996,buttpark 18\02-85,2-bromo-4-fluorbenzoic acid,pubchem1314,2-bromo-4-fluorobenzoic,2-bromofluorobenzoic acid CID PubChem: 1268169 Nom IUPAC: 2-bromo-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)Br)C(=O)O

Poids moléculaire (g/mol) 219.009
Synonyme 2-bromo-4-fluorobenzoicacid,4-fluoro-2-bromobenzoic acid,2-bromo-4-fluoro-benzoic acid,benzoic acid, 2-bromo-4-fluoro,rarechem al bo 1996,buttpark 18\02-85,2-bromo-4-fluorbenzoic acid,pubchem1314,2-bromo-4-fluorobenzoic,2-bromofluorobenzoic acid
Numéro MDL MFCD00055370
CAS 1006-41-3
CID PubChem 1268169
Nom IUPAC 2-bromo-4-fluorobenzoic acid
Clé InChI RRKPMLZRLKTDQV-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1F)Br)C(=O)O
Formule moléculaire C7H4BrFO2
13

Salicylhydrazide, 98+%

CAS: 936-02-7 Formule moléculaire: C7H8N2O2 Poids moléculaire (g/mol): 152.15 Numéro MDL: MFCD00007599 Clé InChI: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonyme: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide CID PubChem: 13637 Nom IUPAC: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

Poids moléculaire (g/mol) 152.15
Synonyme salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
Numéro MDL MFCD00007599
CAS 936-02-7
CID PubChem 13637
Nom IUPAC 2-hydroxybenzohydrazide
Clé InChI XSXYESVZDBAKKT-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)NN)O
Formule moléculaire C7H8N2O2
14

Salicylhydroxamic acid, 99%, Thermo Scientific Chemicals

CAS: 89-73-6 Formule moléculaire: C7H7NO3 Poids moléculaire (g/mol): 153.14 Clé InChI: HBROZNQEVUILML-UHFFFAOYSA-N Synonyme: salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide CID PubChem: 66644 ChEBI: CHEBI:45615 Nom IUPAC: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

Poids moléculaire (g/mol) 153.14
Synonyme salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide
CAS 89-73-6
CID PubChem 66644
ChEBI CHEBI:45615
Nom IUPAC N,2-dihydroxybenzamide
Clé InChI HBROZNQEVUILML-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)NO)O
Formule moléculaire C7H7NO3
15

1-(2-Fluorobenzoyl)pyrrolidine, 97%, Thermo Scientific™

CAS: 347909-09-5 Formule moléculaire: C11H12FNO Poids moléculaire (g/mol): 193.221 Numéro MDL: MFCD00460952 Clé InChI: AZBXHPRYPHBYCV-UHFFFAOYSA-N Synonyme: 1-2-fluorobenzoyl pyrrolidine,2-fluorophenyl 1-pyrrolidinyl methanone,2-fluorophenyl-pyrrolidin-1-ylmethanone CID PubChem: 3497148 Nom IUPAC: (2-fluorophenyl)-pyrrolidin-1-ylmethanone SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2F

Poids moléculaire (g/mol) 193.221
Synonyme 1-2-fluorobenzoyl pyrrolidine,2-fluorophenyl 1-pyrrolidinyl methanone,2-fluorophenyl-pyrrolidin-1-ylmethanone
Numéro MDL MFCD00460952
CAS 347909-09-5
CID PubChem 3497148
Nom IUPAC (2-fluorophenyl)-pyrrolidin-1-ylmethanone
Clé InChI AZBXHPRYPHBYCV-UHFFFAOYSA-N
SMILES C1CCN(C1)C(=O)C2=CC=CC=C2F
Formule moléculaire C11H12FNO