2,4-Dichlorobenzylamine

HCID 1485CAS 95-00-1
Substructure searchFind similar structures

Basic information

Standard SMILES
NCc1ccc(Cl)cc1Cl
InChIKey
SJUKJZSTBBSGHF-UHFFFAOYSA-N
Molecular formula
C7H7Cl2N
Average molar mass
176.04 g/mol
Monoisotopic mass
174.99555458

Names & identifiers

Preferred name
2,4-Dichlorobenzylamine
IUPAC
(2,4-dichlorophenyl)methanamine
English name
2,4-Dichlorobenzylamine
Molecular formula
C7H7Cl2N
Molecular weight
176.04

Names & synonyms

2,4-Dichlorobenzylamine95-00-1Benzenemethanamine, 2,4-dichloro-Benzylamine, 2,4-dichloro-TL3J7NC8YCEINECS 202-382-6NSC 25064NSC-25064DTXSID5059115RefChem:443475DTXCID8048945Benzylamine, 2,4-dichloro-(8CI)
Show more names
AKOS BBS-00003590RARECHEM AL BW 01192,4-DichlorobenzylamLABOTEST-BB LTBB000655Olanexidine Impurity 5Furosemide Impurity 52o,p-Dichlorobenzylamine
202-382-6InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H(2,4-Dichlorophenyl)methanamine2,4-dichlorobenzyl amine1-(2,4-dichlorophenyl)methanamineMFCD000081092.4-dichlorobenzylamine2,4-Dichloro-benzylamine

Database identifiers

CAS
95-00-1
PubChem CID
1485
DTXSID
DTXSID5059115
ChEMBL
CHEMBL13094
UNII
TL3J7NC8YC
EC Number
202-382-6
Nikkaji
J149.836C

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
309 · 309-311 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point
83 · 83-84 °C5 mm Hg(lit.)
Density
1.308 g/mL · 1.308 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.578(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F
9
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2735 8/PG 3
hs_code
29214990

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 2,4-dichloro-: INACTIVE

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

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Linked notes

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