3-Bromo-5-chlorobenzaldehyde - CAS 188813-05-0

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

Catalog:	BB014553
Product Name:	3-Bromo-5-chlorobenzaldehyde
CAS:	188813-05-0
Synonyms:	Benzaldehyde, 3-bromo-5-chloro-; 5-Bromo-3-chlorobenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-chlorobenzaldehyde
Molecular Weight:	219.46
Molecular Formula:	C7H4BrClO
Canonical SMILES:	C1=C(C=C(C=C1Cl)Br)C=O
InChI:	InChI=1S/C7H4BrClO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChI Key:	JGMGDYUVFBBCEQ-UHFFFAOYSA-N
Boiling Point:	264.0±20.0°C at 760 mmHg
Melting Point:	68-73°C
Purity:	≥95%
Density:	1.698±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to Light Yellow Powder to Crystal
Storage:	Store at RT
MDL:	MFCD06797226
LogP:	2.91500

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110256439-B	Organic electroluminescent material and device	20181122
CN-111187267-A	Luminescent material and application thereof	20181115
WO-2020009889-A1	ALPHAvBETA1 INTEGRIN ANTAGONISTS	20180703
US-2021284638-A1	ALPHAvBETA1 INTEGRIN ANTAGONISTS	20180703
WO-2019206242-A1	Organic electroluminescent material and device	20180427

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.91341
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.91341
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7