2,4-Dichlorobenzylamine - CAS 95-00-1

Catalog:	BB041599
Product Name:	2,4-Dichlorobenzylamine
CAS:	95-00-1
Synonyms:	(2,4-dichlorophenyl)methanamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(2,4-dichlorophenyl)methanamine
Description:	2,4-Dichlorobenzylamine (CAS# 95-00-1) is a useful research chemical compound.
Molecular Weight:	176.04
Molecular Formula:	C7H7Cl2N
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)CN
InChI:	InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChI Key:	SJUKJZSTBBSGHF-UHFFFAOYSA-N
Boiling Point:	83-84 ℃ (5 torr)
Density:	1.3 g/cm³
Appearance:	Clear colourless liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 ℃
MDL:	MFCD00008109
LogP:	3.15240

Publication Number	Title	Priority Date
CN-113185504-A	Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof	20210512
CN-113214236-A	Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof	20210512
CN-111875515-A	Method for generating amide by catalyzing primary amine with metal complex	20200904
CN-111978198-A	Lapterostigmatic acid derivative and preparation method and application thereof	20200813
WO-2020219904-A1	Heterocyclic inhibitors of tyrosine kinase	20190425

PMID	Publication Date	Title	Journal
19191712	20090306	Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane	The Journal of organic chemistry
15903330	20050527	Absolute asymmetric photocyclization of isopropylbenzophenone derivatives using a cocrystal approach involving single-crystal-to-single-crystal transformation	The Journal of organic chemistry
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9955546
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.9955546
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3