Methyl 3-bromo-4-methylbenzoate

HCID 7015747CAS 104901-43-1

기본 정보

표준 SMILES: COC(=O)c1ccc(C)c(Br)c1
InChIKey: MASRAGFWFYHMFI-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Methyl 3-bromo-4-methylbenzoate
IUPAC: methyl 3-bromo-4-methylbenzoate
영어명: Methyl 3-bromo-4-methylbenzoate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

methyl 3-bromo-4-methylbenzoate104901-43-1DTXSID70426758RefChem:157452DTXCID50377592600-619-13-Bromo-4-methylbenzoic Acid Methyl EsterMethyl 3-Bromo-p-toluateMFCD00144769methyl 3-bromo-4-methyl-benzoateSCHEMBL5025203-bromo-4-methyl-benzoic acid methyl ester

이름 더 보기

Methyl 3-bromo-4-metMETHYL 4-BROMO-M-TOLUATE3-BROMO-4-METHYL METHYL BENZOATEMethyl3-Bromo-4-methylbenzoate>3-BroMo-p-toluic acid Methyl ester4-BROMO-M-TOLUIC ACID METHYL ESTERMethyl 3-bromo-4-methylbenzoate ,98%4-BROMO-3-METHYLBENZOIC ACID METHYL ESTER

methyl-3-bromo-4-methylbenzoate3-Bromo-p-toluic Acid Methyl EsterAKOS015852366DS-14397Z1269194715Methyl3-bromo-4-methylbenzoateBenzoic acid, 3-bromo-4-methyl-, methyl esterMethyl 3-bromo4-methylbenzoate

데이터베이스 식별자

CAS: 104901-43-1
PubChem CID: 7015747
DTXSID: DTXSID70426758
EC Number: 600-619-1
Nikkaji: J2.678.050K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 38 · 38-44 °C(lit.)
끓는 점: 130 °C/0.1mmHg · 130°C/0.1mmHg(lit.)
밀도: 1.433 · 1.433±0.06 g/cm3(Predicted)
굴절률: 1.557 to · 1.5570 to 1.5610
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 디메틸설폭사이드에 용해됩니다.
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C9H9BrO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey: MASRAGFWFYHMFI-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(C)C(Br)=C1

화학적 성질

Orange-red 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 6 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야

용도It is a pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

하류 제품

메틸3-시아노-4-메틸벤조에이트 메틸3-아미노-4-메틸벤조에이트 4-메틸-3-[[4-(3-피리디닐)-2-피리미디닐]아미노]벤조산메틸에스테르 Methyl 3-methoxy-4-methylbenzoate

공급사50 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]

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

연결된 노트

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