4-Amino-2,5-dimethylphenol

HCID 76544CAS 3096-71-7

기본 정보

표준 SMILES: Cc1cc(O)c(C)cc1N
InChIKey: JSWVCUXQICMATE-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 4-Amino-2,5-dimethylphenol
IUPAC: 4-amino-2,5-dimethylphenol
영어명: 4-Amino-2,5-dimethylphenol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

4-Amino-2,5-dimethylphenol3096-71-7Phenol, 4-amino-2,5-dimethyl-2,5-dimethyl-4-hydroxyaniline2,5-Xylenol, 4-amino-2,5-Dimethyl-4-aminophenolEINECS 221-449-0UNII-RF4R93709TRF4R93709T(2,5-DIMETHYL-4-HYDROXYPHENYL)AMINEDTXSID30184948RefChem:97683

이름 더 보기

4-Amino-2,5-xylenol >2,5-Dimethyl-4-aminophenol4-azanyl-2,5-dimethyl-phenol4-Hydroxy-2,5-dimethylaniline2,5-dimethyl-4-hydroxy aniline4-Amino-2,5-dimethylphenol,95%4-AMINO-2,5-DIMETHYLPHENOL, TECH.

DTXCID70107439221-449-0InChI=1/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2HJSWVCUXQICMATE-UHFFFAOYSA-N4-Amino-2,5-xylenol4-amino-2,5-dimethyl-phenolMFCD000078734-amino -2,5-dimethylphenol

데이터베이스 식별자

CAS: 3096-71-7
PubChem CID: 76544
DTXSID: DTXSID30184948
UNII: RF4R93709T
EC Number: 221-449-0
Nikkaji: J217.270D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 242 · 242-243 °C (lit.)
끓는 점: 288.4 · 288.4±28.0 °C(Predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 가루
산도 계수 (pKa): 1 · pK1: 5.28(+1);pK2: 10.40(0) (25°C)
색상: 흰색에서 베이지색
안정성: 안정적인. 산, 클로로포르메이트, 산 무수물, 산 염화물, 강산화제와 호환되지 않습니다.
InChI: 1S/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3
InChIKey: JSWVCUXQICMATE-UHFFFAOYSA-N
SMILES: Cc1cc(O)c(C)cc1N

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (42.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98.5%)

안전 데이터

wgk: 3
HS 번호: 29222990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-24/25
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids