CAS 102074-47-5 6-Chloro-N1-methylbenzene-1,2-diamine (HCID 12693236)

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Basic information

CAS: 102074-47-5
Standard SMILES: CNc1c(N)cccc1Cl
InChIKey: VDDRAMKPNRSSMG-UHFFFAOYSA-N
Molecular formula: C7H9ClN2
Average molar mass: 156.61 g/mol

Names & identifiers

Preferred name: 6-Chloro-N1-methylbenzene-1,2-diamine
IUPAC: 3-chloro-2-N-methylbenzene-1,2-diamine
English name: 6-chloro-N1-methylbenzene-1,2-diamine
Molecular formula: C7H9ClN2
Molecular weight: 156.61

Names & synonyms

102074-47-56-Chloro-N1-methylbenzene-1,2-diamine6-chloro-1-N-methylbenzene-1,2-diamine1,2-Benzenediamine, 3-chloro-N2-methyl-3-chloro-2-N-methylbenzene-1,2-diamineSCHEMBL101764VDDRAMKPNRSSMG-UHFFFAOYSA-NCEA07447MFCD10694367SB76474DA-16263EN300-45079

Show more names

G56031

Database identifiers

CAS: 102074-47-5
PubChem CID: 12693236
EC Number: 114-121-2

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 286.1 · 286.1±25.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 5.49 · 5.49±0.11(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.