(5-Amino-2-chlorophenyl)methanol

HCID 13567962CAS 89951-56-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(Cl)c(CO)c1
InChIKey: LURSRRLUCSSCHJ-UHFFFAOYSA-N
Molecular formula: C7H8ClNO
Average molar mass: 157.6 g/mol
Monoisotopic mass: 157.02944156

Names & identifiers

Preferred name: (5-Amino-2-chlorophenyl)methanol
IUPAC: (5-amino-2-chlorophenyl)methanol
English name: 5-AMINO-2-CHLOROBENYL ALCOHOL
Molecular formula: C7H8ClNO
Molecular weight: 157.6

Names & synonyms

(5-amino-2-chlorophenyl)methanol89951-56-4DTXSID60544011RefChem:209356DTXCID30494796685-077-45-Amino-2-chlorobenzyl alcohol5-amino-2chlorobenzylalcoholMFCD05664329SCHEMBL4446864-chloro-5-hydroxymethyl anilineCS-0060202

Show more names

5-AMINO-2-CHLOROBENYL2-Chloro-5-aminobenzenemethanol4-Chloro-3-(hydroxymethyl)anilineBenzenemethanol, 5-amino-2-chloro-5-AMINO-2-CHLOROBENYL ALCOHOL USP/EP/BP(5-Amino-2-chlorophenyl)methanol - [A90071]

EN300-1228969F5608-0066Z394691946(5-amino-2-chloro-phenyl)-methanol2-chloro-5-aminobenzyl alcohol5-AMINO-2-CHLOROBENYL ALCOHOLFT-06473295-AMINO-2-CHLOROBENYL ALCOHOL, 97%

Database identifiers

CAS: 89951-56-4
PubChem CID: 13567962
DTXSID: DTXSID60544011
EC Number: 685-077-4
Nikkaji: J1.383.153J

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 119 · 119-123 °C (lit.)
Boiling point: 326 · 326.0±27.0 °C(Predicted)
Density: 1.341 · 1.341±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 13.88 · 13.88±0.10(Predicted)
Appearance: Off-white to light yellow Solid
InChI: 1S/C7H8ClNO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4,9H2
InChIKey: LURSRRLUCSSCHJ-UHFFFAOYSA-N
SMILES: Nc1ccc(Cl)c(CO)c1
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 · 26-36
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.