4-Chloronaphthylamine

HCID 78408

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Basic information

CAS: 4684-12-2
Standard SMILES: Nc1ccc(Cl)c2ccccc12
InChIKey: DEPDZGNUVOAZCW-UHFFFAOYSA-N
Molecular formula: C10H8ClN
Average molar mass: 177.63 g/mol
Monoisotopic mass: 177.03452694

Names & identifiers

Preferred name: 4-Chloronaphthylamine
IUPAC: 4-chloronaphthalen-1-amine
English name: 1-Amino-4-chloronaphthalene
Molecular formula: C10H8ClN
Molecular weight: 177.63

Names & synonyms

4684-12-24-Chloronaphthylamine4-Chloro-1-naphthalenamineNSC 60276DTXSID40196956EINECS 225-138-0RefChem:522006DTXCID80119447225-138-01-Amino-4-chloronaphthalene4-chloronaphthalen-1-amine1-Naphthalenamine, 4-chloro-

Show more names

TIMTEC-BB SBB0037694-Chloro-1-naphtylamine4-CHLORO-1-NAPHTHALAMINE1-Amino-4-chloronaphthalene 98%

MFCD000040244-Chloro-1-naphthylamineNSC602764-Cholo-1-naphthylamineNSC-60276H7ZV8MGN7M1-Naphthylamine, 4-chloro-STL195346

Database identifiers

CAS: 4684-12-2
PubChem CID: 78408
DTXSID: DTXSID40196956
UNII: H7ZV8MGN7M
EC Number: 225-138-0
Nikkaji: J297.885G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 98 · 98-100 °C (lit.)
Boiling point: 338.4 · 338.4±17.0 °C(Predicted)
Density: 1.289 · 1.289±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 2.93 · 2.93±0.10(Predicted)
form: powder
Appearance: Off-white to gray Solid
InChI: 1S/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey: DEPDZGNUVOAZCW-UHFFFAOYSA-N
SMILES: Nc1ccc(Cl)c2ccccc12
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.