1,2-DIBROMOPROPANE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C3H6Br2
Molecular Weight	201.888
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DIBROMOPROPANE

SMILES

CC(Br)CBr

InChI

InChIKey=XFNJYAKDBJUJAJ-UHFFFAOYSA-N

InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C3H6Br2
Molecular Weight	201.888
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Show entries

Title	Date	PubMed
Acute effects of 2-bromopropane and 1,2-dibromopropane on hepatotoxic and immunotoxic parameters in female BALB/c mice.	2003 Nov	14661861
Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates.	2003 Sep 2	12939138
Metabolism and mutagenicity of source water contaminants 1,3-dichloropropane and 2,2-dichloropropane.	2004 Jan	14709629
Identification of glutathione conjugates and mercapturic acids of 1,2-dibromopropane in female BALB/c mice by liquid chromatography-electrospray ionization tandem mass spectrometry.	2005 Jan	15788371
[Analysis of haloacetic acids in drinking water by gas chromatography-mass spectrometry].	2006 Jan	16827305

Showing 1 to 5 of 9 entries

Previous1 2Next

Patents

Substance Class	Chemical
Record UNII	FGB8O5N903
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

1,2-DIBROMOPROPANE

Systematic Name

English

PROPANE, 1,2-DIBROMO-

Systematic Name

English

2,3-DIBROMOPROPANE [HSDB]

Common Name

English

PROPYLENE DIBROMIDE

Systematic Name

English

PROPYLENE DIBROMIDE [MI]

Common Name

English

Showing 1 to 5 of 5 entries

Show entries

Code System

Code

Type

Description

CAS

78-75-1

PRIMARY

ECHA (EC/EINECS)

201-139-1

PRIMARY

EPA CompTox

DTXSID60870403

PRIMARY

FDA UNII

FGB8O5N903

PRIMARY

HSDB

7379

PRIMARY

Showing 1 to 5 of 8 entries

Previous1 2Next