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Merck
CN

17878

Bromoform

puriss., ≥99.0% (GC)

Synonym(s):

Tribromomethane

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About This Item

Empirical Formula (Hill Notation):
CHBr3
CAS Number:
75-25-2
Molecular Weight:
252.73
EC Number:
200-854-6
UNSPSC Code:
12352100
PubChem Substance ID:
329751575
Beilstein/REAXYS Number:
1731048
MDL number:
MFCD00000128

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InChI key

DIKBFYAXUHHXCS-UHFFFAOYSA-N

InChI

1S/CHBr3/c2-1(3)4/h1H

SMILES string

BrC(Br)Br

vapor density

8.7 (vs air)

vapor pressure

5 mmHg ( 20 °C)

grade

puriss.

assay

≥99.0% (GC)

contains

~0.05% amylene as stabilizer

refractive index

n20/D 1.595 (lit.), n20/D 1.596

bp

146-150 °C (lit.)

mp

5-8 °C (lit.)

solubility

H2O: soluble, acetone: miscible, alcohol: miscible, benzene: miscible, chloroform: miscible, diethyl ether: miscible

density

2.89 g/mL at 25 °C (lit.)

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General description

Polar ordering induced by pressure in bromoform has been determined using single-crystal X-ray diffraction.

Application

Bromoform was used to carry out the risk assessment of tribromomethane in drinking water.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

106.3 °F - closed cup - (own results)

flash_point_c

41.3 °C - closed cup - (own results)

Regulatory Information

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Kamil F Dziubek et al.
The journal of physical chemistry. B, 112(38), 12001-12009 (2008-08-02)
Polar ordering has been induced by pressure in solid chloroform (trichloromethane), CHCl3, and bromoform (tribromomethane), CHBr3, obtained by isochoric and isothermal freezing in a diamond anvil cell. Structures of these new polymorphs have been determined by single-crystal X-ray diffraction, CHCl3
Nasrul Hamidin et al.
Water research, 42(13), 3263-3274 (2008-06-03)
The presence of chlorinated disinfection by-products (DBPs) in drinking water is a public health issue, due to their possible adverse health effects on humans. To gauge the risk of chlorinated DBPs on human health, a risk assessment of chloroform (trichloromethane
Lisa George et al.
The Journal of chemical physics, 135(12), 124503-124503 (2011-10-07)
Iso-polyhalomethanes are known reactive intermediates that play a pivotal role in the photochemistry of halomethanes in condensed phases. In this work, iso-bromoform (iso-CHBr(3)) and its deuterated isotopomer were characterized by matrix isolation infrared and UV/visible spectroscopy, supported by ab initio
M Valcke et al.
Regulatory toxicology and pharmacology : RTP, 59(2), 258-269 (2010-10-26)
The objective of this study was to assess the impact of the exposure route on the human kinetic adjustment factor (HKAF), for which a default value of 3.16 is used in non-cancer risk assessment. A multi-route PBPK model was modified
Bichismita Sahu et al.
The Journal of organic chemistry, 74(6), 2601-2604 (2009-02-26)
Addition of bromoform to conjugated nitroalkenes in the presence of Mg provided beta-tribromomethyl nitroalkanes in good to excellent yields and diastereoselectivity. These novel Michael adducts, formed under radical conditions, underwent elimination of HBr in the same pot under reflux to
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