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Nitrogen mustard compounds

Nitrogen mustards are cytotoxic organic compounds with the chloroethylamine functional group, which consists of the following structure: Cl(CH2)2NR2, where R can be any organic group. They are nitrogen analogs of mustard gas.
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1

N-Methyl-bis(trifluoroacetamide), ≥97.0% (GC), MilliporeSigma™ Supelco™

MDL Number: MFCD00000412 Synonym: MBTFA (N-methyl-bis(trifluoroacetamide)or BTFA (bis(TFA)); MBTFA

MDL Number MFCD00000412
Synonym MBTFA (N-methyl-bis(trifluoroacetamide)or BTFA (bis(TFA)); MBTFA
2

N-Methylbis(trifluoroacetamide) 97.0+%, TCI America™

CAS: 685-27-8 Molecular Formula: C5H3F6NO2 Molecular Weight (g/mol): 223.074 MDL Number: MFCD00000412 InChI Key: AWGBWLXGUPTXHF-UHFFFAOYSA-N Synonym: mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide PubChem CID: 69635 IUPAC Name: 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide SMILES: CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

PubChem CID 69635
CAS 685-27-8
Molecular Weight (g/mol) 223.074
MDL Number MFCD00000412
SMILES CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
Synonym mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide
IUPAC Name 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
InChI Key AWGBWLXGUPTXHF-UHFFFAOYSA-N
Molecular Formula C5H3F6NO2
3

Chlorambucil 98.0+%, TCI America™

CAS: 305-03-3 Molecular Formula: C14H19Cl2NO2 Molecular Weight (g/mol): 304.21 MDL Number: MFCD00021783 InChI Key: JCKYGMPEJWAADB-UHFFFAOYSA-N Synonym: chlorambucil,ambochlorin,chloroambucil,leukeran,chloraminophen,chlorbutin,chloraminophene,chlorobutine,amboclorin,chlorbutine PubChem CID: 2708 ChEBI: CHEBI:28830 IUPAC Name: 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid SMILES: OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

PubChem CID 2708
CAS 305-03-3
Molecular Weight (g/mol) 304.21
ChEBI CHEBI:28830
MDL Number MFCD00021783
SMILES OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
Synonym chlorambucil,ambochlorin,chloroambucil,leukeran,chloraminophen,chlorbutin,chloraminophene,chlorobutine,amboclorin,chlorbutine
IUPAC Name 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
InChI Key JCKYGMPEJWAADB-UHFFFAOYSA-N
Molecular Formula C14H19Cl2NO2
4

N,N-Bis(2-chloroethyl)carbamoyl Chloride 97.0+%, TCI America™

CAS: 2998-56-3 Molecular Formula: C5H8Cl3NO Molecular Weight (g/mol): 204.48 MDL Number: MFCD00144974 InChI Key: JAHXVUPWHXMPLG-UHFFFAOYSA-N PubChem CID: 76346 IUPAC Name: N,N-bis(2-chloroethyl)carbamoyl chloride SMILES: ClCCN(CCCl)C(Cl)=O

PubChem CID 76346
CAS 2998-56-3
Molecular Weight (g/mol) 204.48
MDL Number MFCD00144974
SMILES ClCCN(CCCl)C(Cl)=O
IUPAC Name N,N-bis(2-chloroethyl)carbamoyl chloride
InChI Key JAHXVUPWHXMPLG-UHFFFAOYSA-N
Molecular Formula C5H8Cl3NO
5

Heptacosafluorotributylamine 60.0+%, TCI America™

CAS: 311-89-7 Molecular Formula: C12F27N Molecular Weight (g/mol): 671.096 MDL Number: MFCD00000436 InChI Key: RVZRBWKZFJCCIB-UHFFFAOYSA-N Synonym: perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine PubChem CID: 9397 ChEBI: CHEBI:38854 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

PubChem CID 9397
CAS 311-89-7
Molecular Weight (g/mol) 671.096
ChEBI CHEBI:38854
MDL Number MFCD00000436
SMILES C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula C12F27N
6

Pentadecafluorotriethylamine 95.0+%, TCI America™

CAS: 359-70-6 Molecular Formula: C6F15N Molecular Weight (g/mol): 371.05 MDL Number: MFCD00166270 InChI Key: CBEFDCMSEZEGCX-UHFFFAOYSA-N Synonym: Perfluorotriethylamine, Tris(pentafluoroethyl)amine PubChem CID: 78986 IUPAC Name: tris(1,1,2,2,2-pentafluoroethyl)amine SMILES: FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

PubChem CID 78986
CAS 359-70-6
Molecular Weight (g/mol) 371.05
MDL Number MFCD00166270
SMILES FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
Synonym Perfluorotriethylamine, Tris(pentafluoroethyl)amine
IUPAC Name tris(1,1,2,2,2-pentafluoroethyl)amine
InChI Key CBEFDCMSEZEGCX-UHFFFAOYSA-N
Molecular Formula C6F15N