3-Amino-2-methylbenzoic acid methyl ester

HCID 3801025CAS 18583-89-6

기본 정보

표준 SMILES: COC(=O)c1cccc(N)c1C
InChIKey: ZOOQFAUFPWXUMI-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: 3-Amino-2-methylbenzoic acid methyl ester
IUPAC: methyl 3-amino-2-methylbenzoate
영어명: Methyl 3-amino-2-methylbenzoate
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

3-Amino-2-methylbenzoic Acid Methyl EsterRefChem:497056629-093-1Methyl 3-amino-2-methylbenzoate18583-89-63-Amino-o-toluic Acid Methyl EsterMFCD00211328Benzoic acid, 3-amino-2-methyl-, methyl ester18593-89-0methyl 2-methyl-3-aminobenzoatemethyl-3-amino-2-methylbenzoatemethyl 2-methyl-3-aminoben-zoate

이름 더 보기

AKOS BB-31003-Amino-2-MethylbenzoateMETHYL 3-AMINO-O-TOLUATELenalidomide Impurity 273-aminotoluene methyl esterMETHYL 2-METHYL-3-AMINO BENZOATEMethyl 3-Amino-2-melthyl benzoateMethyl 3-amino-2-methylbenzoate 96%

SY014708Z308867796benzoic acid, 3-amino-2-methyl-, methyl ester, hydrochlorideMethyl 3-amino-2-methyl-benzoate2-Methyl-3-(methoxycarbonyl)aniline; 3-Amino-2-methylbenzoic Acid Methyl Ester; Methyl 2-methyl-3-aminobenzoateLenalidomide Impurity 14Lenalidomide Impurity 98A4110

데이터베이스 식별자

CAS: 18583-89-6
PubChem CID: 3801025
DTXSID: DTXSID20396614
EC Number: 629-093-1
Nikkaji: J82.772J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

끓는 점: 300 °C · 300 °C (lit.)
밀도: 1.146 g/mL · 1.146 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.573(lit.)
인화점: 220 °F · 220 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 3.31 · 3.31±0.10(Predicted)
색상: 무색~갈색
InChI: 1S/C9H11NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,10H2,1-2H3
InChIKey: ZOOQFAUFPWXUMI-UHFFFAOYSA-N
SMILES: COC(=O)c1cccc(N)c1C

화학적 성질

off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk: 3
HS 번호: 2922498590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 3-Amino-2-methylbenzoate can be used in petroleum recovery process.

상·하류 제품 정보

상류 원료

하류 제품

3-Amino-2-methylbenzoic acid 1H-인다졸-4-카르복실산

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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