3017-95-6|2-bromo-1-chloropropane|2-Bromo-1-chloropropane

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2-bromo-1-chloropropane: ChemBase ID: 125255; Molecular Formular: C3H6BrCl; Molecular Mass: 157.43674; Monoisotopic Mass: 155.93413987
SMILES and InChIs

SMILES:
CC(Br)CCl
Canonical SMILES:
CC(CCl)Br
InChI:
InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
InChIKey:
PUJJZGFFAQHYEX-UHFFFAOYSA-N
Cite this record CBID:125255 http://www.chembase.cn/molecule-125255.html

NAMES AND DATABASE IDS

Names Database IDs

IUPAC name

2-bromo-1-chloropropane

IUPAC Traditional name

2-bromo-1-chloropropane

Synonyms

2-Bromo-1-chloropropane

2-溴-1-氯丙烷

CAS Number

3017-95-6

EC Number

221-157-3

MDL Number

MFCD00009815

PubChem SID

24853851

162219605

24871389

PubChem CID

18175

CHEMBL

160835

Chemspider ID

17167

Wikipedia Title

2-Bromo-1-chloropropane

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

Data Source	Data ID
Sigma Aldrich	231274 47758
PubChem	18175
Wikipedia	2-Bromo-1-chloropropane

Data Source

Data ID

Price

Sigma Aldrich

231274	Please log in.
47758	Please log in.

Data Source	Data ID
PubChem	18175
Wikipedia	2-Bromo-1-chloropropane

CALCULATED PROPERTIES

JChem

H Acceptors	0	H Donor	0
LogD (pH = 5.5)	2.1025748	LogD (pH = 7.4)	2.1025748
Log P	2.1025748	Molar Refractivity	28.0579 cm³
Polarizability	11.02937 Å³	Polar Surface Area	0.0 Å²
Rotatable Bonds	1	Lipinski's Rule of Five	true

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)

Apperance

Colourless liquid

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Boiling Point

116.55°C (389.7K)	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
116-117 °C(lit.)	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Flash Point

113 °C	Show data source Wikipedia.org - 2-Bromo-1-chloropropane Sigma Aldrich - 231274 Sigma Aldrich - 47758
235.4 °F	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Density

1.537 g mL^-1	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
1.537 g/mL at 25 °C(lit.)	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Refractive Index

1.4783	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
n20/D 1.4783(lit.)	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Partition Coefficient

2.262

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European Hazard Symbols

Harmful (Xn)

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MSDS Link

Download	Show data source Sigma Aldrich - 231274
Download	Show data source Sigma Aldrich - 47758

German water hazard class

3	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Risk Statements

20/21/22-36/37/38	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758
r20/21/22, r36/37/38	Show data source Wikipedia.org - 2-Bromo-1-chloropropane

Safety Statements

26-36	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758
s26, s36	Show data source Wikipedia.org - 2-Bromo-1-chloropropane

GHS Pictograms

	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

GHS Signal Word

WARNING	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
Warning	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

GHS Hazard statements

302, 312, 315, 319, 332, 335	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
H302-H312-H315-H319-H332-H335	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

GHS Precautionary statements

261, 280, 305+351+338	Show data source Wikipedia.org - 2-Bromo-1-chloropropane
P261-P280-P305 + P351 + P338	Show data source Sigma Aldrich - 231274 Sigma Aldrich - 47758

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Show data source