2-Amino-m-cresol

HCID 3014138CAS 2835-97-4

기본 정보

표준 SMILES: Cc1cccc(O)c1N
InChIKey: FEDLEBCVFZMHBP-UHFFFAOYSA-N
분자식: C7H9NO
평균 분자량: 123.15 g/mol
단동위원소 질량: 123.06841391

이름 및 식별자

우선 이름: 2-Amino-m-cresol
IUPAC: 2-amino-3-methylphenol
영어명: 2-Amino-3-methylphenol
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

녹는점: 149 · 149-152 °C (lit.)
끓는 점: 229.26 °C · 229.26°C (rough estimate)
밀도: 1.0877 · 1.0877 (rough estimate)
굴절률: 1.5706 · 1.5706 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystalline
산도 계수 (pKa): 9.87 · 9.87±0.10(Predicted)
색상: 흰색에서 갈색으로
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

화학적 성질

Light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29222990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Amino-3-methylphenol was used in the preparation of Schiff base ligands.

일반 설명2-Amino-3-methylphenol is an aminophenol formed by incubating isopropyl-β-D-thiogalactopyranoside-induced E. coli JS996 strain cells with various nitroaromatic compounds.