CAS 39226-95-4 2,3-Dichlorobenzylamine (HCID 587625)

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Basic information

CAS: 39226-95-4
Standard SMILES: NCc1cccc(Cl)c1Cl
InChIKey: JHBVZGONNIVXFJ-UHFFFAOYSA-N
Molecular formula: C7H7Cl2N
Average molar mass: 176.04 g/mol
Monoisotopic mass: 174.99555458

Names & identifiers

Preferred name: 2,3-Dichlorobenzylamine
IUPAC: (2,3-dichlorophenyl)methanamine
English name: 2,3-Dichlorobenzylamine
Molecular formula: C7H7Cl2N
Molecular weight: 176.04

Names & synonyms

2,3-Dichlorobenzylamine39226-95-4DTXSID30343119RefChem:442058DTXCID50294199625-018-1(2,3-Dichlorophenyl)methanamine2,3-Dichlorobenzyl amine1-(2,3-dichlorophenyl)methanamineMFCD00047927Benzenemethanamine, 2,3-dichloro-CHEMBL13165

Show more names

RARECHEM AL BW 0347TIMTEC-BB SBB0037822,3-DichlorobenzylamOlanexidine Impurity 62,3-Dichlorobenzylamine>2,3-Dichlorobenzylamine,98%2,3-DICHLOROBENZYLAMINE 98%

(2,3-dichlorophenyl)methylamine2,3-Dichloro-benzylamineSCHEMBL42704SCHEMBL427052,3-Dichlorobenzylamine, 97%SCHEMBL20486964SCHEMBL28309903JHBVZGONNIVXFJ-UHFFFAOYSA-

Database identifiers

CAS: 39226-95-4
PubChem CID: 587625
DTXSID: DTXSID30343119
ChEMBL: CHEMBL13165
EC Number: 625-018-1
Nikkaji: J308.249K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 136 · 136-140 °C18 mm Hg(lit.)
Density: 1.321 g/mL · 1.321 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.583(lit.)
Flash point: 221 °F · 221 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
color: Clear colorless to light yellow
Sensitive: Air Sensitive
BRN: 2639296 · 2639296
CAS DataBase Reference: 39226 · 39226-95-4(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310 · P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310

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 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310