CAS 6575-27-5 Benzenemethanamine, 2,6-dichloro- (HCID 485432)

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Basic information

CAS: 6575-27-5
Standard SMILES: NCc1c(Cl)cccc1Cl
InChIKey: VLVLNNQMURDGPM-UHFFFAOYSA-N
Molecular formula: C7H7Cl2N
Average molar mass: 176.04 g/mol
Monoisotopic mass: 174.99555458

Names & identifiers

Preferred name: Benzenemethanamine, 2,6-dichloro-
IUPAC: (2,6-dichlorophenyl)methanamine
English name: 2,6-Dichlorobenzylamine
Molecular formula: C7H7Cl2N
Molecular weight: 176.04

Names & synonyms

2,6-Dichlorobenzylamine6575-27-5Benzenemethanamine, 2,6-dichloro-DTXSID80215958RefChem:563243DTXCID10138449621-812-7(2,6-dichlorophenyl)methanamineMFCD000479281-(2,6-dichlorophenyl)methanamine2,6-Dichlorobenzyl amineSCHEMBL110460

Show more names

RARECHEM AL BW 0148TIMTEC-BB SBB0037802,6-DichlorobenzylamSALOR-INT L480827-1EA2,6-Dichlorobenzylamine>2,6-Dichlorobenzylamine,98%2,6-Dichlorobenzylamine ,99%2,6-Dichlorobenzylamine, 97+%

(2,6-dichlorophenyl)methylamineAKOS000160269CS-W004956PS-5556D4521EN300-32113F0001-17562,6-Dichlorobenzylamine; 2,6-Dichlorobenzenemethanamine

Database identifiers

CAS: 6575-27-5
PubChem CID: 485432
DTXSID: DTXSID80215958
ChEMBL: CHEMBL13305
EC Number: 621-812-7
Nikkaji: J308.077C

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: 97.8

Physicochemical properties

Melting point: 40 °C · 40°C
Boiling point: 108 °C/ · 108°C/ 8mm
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
refractive index: 1.557 · 1.557-1.559
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 7.98 · 7.98±0.10(Predicted)
form: Liquid
color: Clear colorless to yellow
Sensitive: Air Sensitive
CAS DataBase Reference: 6575 · 6575-27-5(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-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

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

ridadr: UN2735
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 45-36/37/39-26
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-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses(2,6-Dichlorophenyl)methanamine was one of the reactants used in making a library of highly selective and potent G protein-coupled receptor kinase 2 inhibitors.