CAS 2835-97-4 2-Amino-m-cresol (HCID 3014138)

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Basic information

CAS: 2835-97-4
Standard SMILES: Cc1cccc(O)c1N
InChIKey: FEDLEBCVFZMHBP-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Names & identifiers

Preferred name: 2-Amino-m-cresol
IUPAC: 2-amino-3-methylphenol
English name: 2-Amino-3-methylphenol
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

2-Amino-3-methylphenol2835-97-42-Amino-m-cresolPhenol, 2-amino-3-methyl-3-methyl-2-aminophenolDTXSID7049261E4Y5YL4FTGCCRIS 83192-AMINO-3-CRESOLM-CRESOL, 2-AMINO-DTXCID2029117RefChem:464876

Show more names

Compound Fr143052-Amino-3-methylphen2-Amino-m-cresol >3-Methyl-2-aminophenol2-AMINO-3-METHLYPHENOL2-Amino-m-methylphenol

626-060-3MFCD000750822-amino-3-methyl-phenol2-Hydroxy-6-methylanilineamino-m-cresolUNII-E4Y5YL4FTG2-hydroxy-6-methyl-anilineSCHEMBL103071

Database identifiers

CAS: 2835-97-4
PubChem CID: 3014138
DTXSID: DTXSID7049261
ChEMBL: CHEMBL3184934
UNII: E4Y5YL4FTG
EC Number: 626-060-3
Nikkaji: J13.776F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 149 · 149-152 °C (lit.)
Boiling point: 229.26 °C · 229.26°C (rough estimate)
Density: 1.0877 · 1.0877 (rough estimate)
refractive index: 1.5706 · 1.5706 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystalline
pka: 9.87 · 9.87±0.10(Predicted)
color: White to Brown
InChI: 1S/C7H9NO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,8H2,1H3
InChIKey: FEDLEBCVFZMHBP-UHFFFAOYSA-N
SMILES: Cc1cccc(O)c1N
CAS DataBase Reference: 2835 · 2835-97-4(CAS DataBase Reference)
FDA UNII: 4 Y5YL4FTG · E4Y5YL4FTG
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS)

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29222990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Amino-3-methylphenol was used in the preparation of Schiff base ligands.

General Description2-Amino-3-methylphenol is an aminophenol formed by incubating isopropyl-β-D-thiogalactopyranoside-induced E. coli JS996 strain cells with various nitroaromatic compounds.