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Merck
CN

17880

Bromoform

purum, ≥95.0% (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
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
1731048
MDL number:
MFCD00000128

Key Documents

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vapor density

8.7 (vs air)

vapor pressure

5 mmHg ( 20 °C)

grade

purum

assay

≥95.0% (GC)

contains

~1% ethanol as stabilizer

refractive index

n20/D 1.595 (lit.)

bp

146-150 °C (lit.)

mp

5-8 °C (lit.)

density

2.89 g/mL at 25 °C (lit.)

SMILES string

BrC(Br)Br

InChI

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

InChI key

DIKBFYAXUHHXCS-UHFFFAOYSA-N

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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)

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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
Szilvia Pothoczki et al.
Journal of physics. Condensed matter : an Institute of Physics journal, 22(40), 404211-404211 (2011-03-10)
New neutron and x-ray diffraction measurements are reported on liquid chloroform, CHCl(3), and bromoform, CHBr(3). Experimental total scattering structure factors have been interpreted by the reverse Monte Carlo method of structural modelling. Partial radial distribution functions, intramolecular bond angle distributions
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
S K Pal et al.
The Journal of chemical physics, 138(12), 124501-124501 (2013-04-06)
Ultrafast deep-ultraviolet through near infrared (210-950 nm) transient absorption spectroscopy complemented by ab initio multiconfigurational calculations offers a global description of the photochemical reaction pathways of bromoform following 255-nm excitation in methylcyclohexane and acetonitrile solutions. Photoexcitation of CHBr3 leads to
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