2-Bromo-4-chlorobenzoic acid - CAS 936-08-3

Name: 2-Bromo-4-chlorobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040984
Product Name:	2-Bromo-4-chlorobenzoic acid
CAS:	936-08-3
Synonyms:	2-bromo-4-chlorobenzoic acid

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Computed Properties

IUPAC Name:	2-bromo-4-chlorobenzoic acid
Description:	2-Bromo-4-chlorobenzoic acid (CAS# 936-08-3) is a useful research chemical.
Molecular Weight:	235.46
Molecular Formula:	C7H4BrClO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)Br)C(=O)O
InChI:	InChI=1S/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:	USMQLFCVCDEXAK-UHFFFAOYSA-N
Boiling Point:	326.5 °C at 760 mmHg
Melting Point:	157-161 °C
Purity:	98 %
Density:	1.809 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00672930
LogP:	2.80070

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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GHS Hazard Statement:	H301 (93.18%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-213543075-U	A drying cabinet for 2-bromine-4-chlorobenzoic acid production	20200929
CN-110256245-A	A kind of synthetic method of the chloro- 2- bromobenzoic acid tert-butyl ester of 4-	20190606
WO-2020234103-A1	Identification and use of kras inhibitors	20190521
TW-202003457-A	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.90832
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.90832
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9