메틸3-(브로모메틸)벤조에이트

Methyl 3-(bromomethyl)benzoate

HCID 517981CAS 1129-28-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cccc(CBr)c1
InChIKey: YUHSMQQNPRLEEJ-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Methyl 3-(bromomethyl)benzoate
IUPAC: methyl 3-(bromomethyl)benzoate
현지명: 메틸3-(브로모메틸)벤조에이트
영어명: Methyl 3-(bromomethyl)benzoate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Methyl 3-(bromomethyl)benzoate1129-28-8DTXSID60333760methyl 3-[bromomethyl]benzoateRefChem:814967DTXCID70284850419-100-4628-954-9Methyl 3-bromomethylbenzoate3-(Bromomethyl)benzoic acid methyl esterMFCD00051437m-Carbomethoxybenzyl bromide

이름 더 보기

메틸3-(브로모메틸)벤조에이트TIMTEC-BB SBB0057933-CARBOMETHOXYBENZYL BROMIDEMethyl 3-(bromomethyl)benzoatMethyle3-(bromomethyl)benzoateMethyl 3-aMino-4-fluorobezoateMethyl m-(Bromomethyl)benzoate3-(BROMOMETHYL)PHENYLACETICACID

Methyl-3-(bromomethyl)benzoateBenzoic acid, 3-(bromomethyl)-, methyl esterMethyl3-(bromomethyl)benzoatemethyl-3-bromomethylbenzoateMethyl alpha-Bromo-m-toluatemethyl m-bromomethylbenzoatemethyl-alpha-bromo-m-toluateSCHEMBL28212

데이터베이스 식별자

CAS: 1129-28-8
PubChem CID: 517981
DTXSID: DTXSID60333760
EC Number: 419-100-4、628-954-9
Nikkaji: J410.601F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 46 · 46-47 °C(lit.)
끓는 점: 112 · 112-114 °C3 mm Hg(lit.)
밀도: 1 · 1,47 g/cm3
인화점: 115 °C/0.8mm · 115°C/0.8mm
저장 조건: 2 · 2-8°C
물리적 상태: 결정 또는 결정성 분말
색상: 하얀색
수용성: 물에 약간 용해됩니다.
BRN: 638569 · 638569
InChI: InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3
InChIKey: YUHSMQQNPRLEEJ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(CBr)=C1
NIST: 3 · Methyl 3-bromomethylbenzoate(1129-28-8)

화학적 성질

white crystalline powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (83%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]

유해성 정보

Hazard Classes and Categories · 2건

Met. Corr. 1 (100%)

Acute Tox. 4 (83%)

안전 데이터

wgk: 2
ridadr: UN 3261 8/PG 2
HS 번호: 29163990
risk_code: 22-34-43
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 19
위험 참고 사항: Irritant/Corrosive
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Methyl 3-(bromomethyl)benzoate is used in organic synthesis of other chemicals.

상·하류 제품 정보

상류 원료

하류 제품

METHYL 3-((PIPERIDIN-4-YL)METHYL)BENZOATE 3-((1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)METHYL)BENZOIC ACID Methyl 3-(aminomethyl)benzoate hydrochloride DI-TERT-BUTYL HYDRAZODICARBOXYLATE Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoate Methyl 3-[4-(tert-butoxycarbonylamino)piperidin-1-yl]methylbenzoate Methyl 3-[(3-Formylphenoxy)methyl]benzoate 메틸3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)벤조에이트 메틸3-((디에톡시포스포릴)메틸)벤조에이트

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

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

上海策嵘生物科技有限公司[email protected]

安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]

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