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3-Bromo-2-chloronitrobenzene

3-Bromo-2-chloronitrobenzene - CAS 3970-37-4

Name: 3-Bromo-2-chloronitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024089
Product Name:	3-Bromo-2-chloronitrobenzene
CAS:	3970-37-4
Synonyms:	1-bromo-2-chloro-3-nitrobenzene; 1-bromo-2-chloro-3-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-chloro-3-nitrobenzene
Description:	3-Bromo-2-chloronitrobenzene (CAS# 3970-37-4) is a reagent used in pharmaceutical synthesis. Used in the synthesis of benzodiazepinone bromodomain inhibitor CPI-637 which may be applicable to cancer therapies.
Molecular Weight:	236.45
Molecular Formula:	C6H3BrClNO2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChI Key:	JNIDAGAFFKAPRV-UHFFFAOYSA-N
Boiling Point:	290.355 °C at 760 mmHg
Density:	1.827 g/cm³
MDL:	MFCD08277301
LogP:	3.53390

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Related Functional Groups

Halides

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[111-85-3]C8H17Cl
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3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112321513-A	Heterocyclic compound and preparation method and application thereof	20201106
CN-113493448-A	Compound for organic photoelectric device, composition for organic photoelectric device, and display device	20200407
US-2021328149-A1	Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device, and display device	20200407
US-2021135127-A1	Plurality of host materials and organic electroluminescent device comprising the same	20191106
CN-112759543-A	Multiple host materials and organic electroluminescent device comprising the same	20191106

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.90357
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.90357
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1