Methyl 4-(bromomethyl)benzoate (HCID 256687)

이름 및 식별자

우선 이름: Methyl 4-(bromomethyl)benzoate
IUPAC: methyl 4-(bromomethyl)benzoate
영어명: Methyl 4-(bromomethyl)benzoate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Methyl 4-(bromomethyl)benzoate2417-72-3Benzoic acid, 4-(bromomethyl)-, methyl esterDTXSID4049406DTXCID3029366RefChem:157566methyl (4-bromomethyl) benzoate607-335-7InChI=1/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1HNLWBJPPMPLPZIE-UHFFFAOYSA-NMethyl 4-bromomethylbenzoate4-(Bromomethyl)benzoic Acid Methyl Ester

이름 더 보기

NSC 83959BroMoMethyl benzoate4-broMo-Methyl benzoateMethyl α-broMo-p-toluateMethyl bromomethylbenzoateMethyl 4-broMoMethylbenzoatoMETHYL ALPHA-BROMO-P-TOLUATE4-Bromo Benzoic methyl EsterMethyl-4-(bromethyl benzoate)methyl 4-bromomethylbenzoatae

4-bromomethylbenzoic acid methyl estermethyl4-(bromomethyl)benzoateMFCD00032453methyl-4-(bromomethyl)benzoateC9GY6V54X6NSC-839594-(Methoxycarbonyl)benzyl bromide4-carbomethoxybenzyl bromide

데이터베이스 식별자

CAS: 2417-72-3
PubChem CID: 256687
DTXSID: DTXSID4049406
ChEMBL: CHEMBL3183843
UNII: C9GY6V54X6
EC Number: 607-335-7
Nikkaji: J33.623H

물성

구조 계산 물성

XLogP: 2.9
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: 151

물리화학적 성질

녹는점: 57 · 57-58 °C(lit.)
끓는 점: 130 · 130-135 °C2 mm Hg(lit.)
밀도: 1 · 1,47 g/cm3
굴절률: 1.532 · 1.5320 (estimate)
인화점: 130 · 130-135°C/2mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정질 분말, 결정 및/또는 덩어리
색상: 흰색에서 노란색으로
수용성: 물에 잘 녹지 않고, 에탄올과 에테르에 잘 녹고, 할로겐화 유기용매에는 잘 녹지 않습니다.
BRN: 1867272 · 1867272
InChI: InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChIKey: NLWBJPPMPLPZIE-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(CBr)C=C1

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (84%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzoic acid, 4-(bromomethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (84%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29163990
risk_code: 22-34-43
hazard_code: C
safety_code: 26-36/37/39-45-25
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralResp. Sens. 1Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도Methyl 4-(bromomethyl)benzoate is an ester derivative of a bromoalkylated benzoic acid. Methyl 4-(bromomethyl)benzoate is used in the preparation of potential anti-HIV agents. It i s also used as a catalyst for rearrangement of benzylthiothiazoline derivatives in the preparation aldose reductase inhibitors.

일반 설명Methyl 4-(bromomethyl)benzoate is an ester. It is a lachrymator and an important drug intermediate. Ester group is slightly twisted out of the plane of the central aromatic ring in methyl 4-(bromomethyl)benzoate.

상·하류 제품 정보

상류 원료

하류 제품

EPROSARTAN 4-((1-(tert-부톡시카르보닐)피페리딘-4-일)메틸)벤조산 Methyl 4-((piperidin-4-yl)methyl)benzoate 메틸3-시아노-4-메틸벤조에이트 2-(4-(메톡시카르보닐)페닐)아세트산 Methyl 4-vinylbenzoate 4-(4-메틸피페라진-1-일메틸)벤조산 methyl 4-((benzo[d]thiazol-2-ylthio)methyl)benzoate 메틸4-(1H-피라졸-1-일메틸)벤조에이트 4-[(1,1-Dioxo-1lambda6,4-thiazinan-4-yl)methyl]benzoic acid

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]

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]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

연결된 노트

불러오는 중…

Methyl 4-(bromomethyl)benzoate

기본 정보