CAS 128577-47-9 Methyl 4-(bromomethyl)-3-fluorobenzoate (HCID 18766370)

기본 정보

CAS: 128577-47-9
표준 SMILES: COC(=O)c1ccc(CBr)c(F)c1
InChIKey: OJBQAHZJVDWSFD-UHFFFAOYSA-N
분자식: C9H8BrFO2
평균 분자량: 247.06 g/mol
단동위원소 질량: 245.96916982

이름 및 식별자

우선 이름: Methyl 4-(bromomethyl)-3-fluorobenzoate
IUPAC: methyl 4-(bromomethyl)-3-fluorobenzoate
현지명: 4-브로모메틸-3-플루오로벤조산메틸에스테르
영어명: 4-Bromomethyl-3-fluorobenzoic acid methyl ester
분자식: C9H8BrFO2
분자량: 247.06

이름 및 동의어

128577-47-9METHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATEDTXSID30596108RefChem:355430DTXCID80546870826-182-94-Bromomethyl-3-fluorobenzoic acid methyl esterMFCD00273345Methyl 4-bromomethyl-3-fluorobenzoateBENZOIC ACID, 4-(BROMOMETHYL)-3-FLUORO-, METHYL ESTERMethyl4-(bromomethyl)-3-fluorobenzoatemethyl 4-(bromomethyl)-3-fluoro-benzoate

이름 더 보기

4-브로모메틸-3-플루오로벤조산메틸에스테르-3-fluorobenzoate4-(bromomethyl)-3-fluorobenzoic acidMMETHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYLMethyl 4-(bromomethyl)-3-fluorobenzoate, 98%minBenzoicacid, 4-(bromomethyl)-3-fluoro-, methyl ester

4-(Bromomethyl)-3-fluorobenzoic acid methyl estermethyl 4-bromomethyl-3-fluorobenzoatSCHEMBL197186OJBQAHZJVDWSFD-UHFFFAOYSA-NMethyl 3-fluoro-4-bromomethylbenzoateAKOS015911828AB05832CS-W002596

데이터베이스 식별자

CAS: 128577-47-9
PubChem CID: 18766370
DTXSID: DTXSID30596108
EC Number: 826-182-9
Nikkaji: J3.381.779G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 68 °C · 68 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
끓는 점: 295.1 · 295.1±35.0 °C(Predicted)
밀도: 1.534 · 1.534±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

HS 번호: 2916399090

화학 및 산업

응용 분야

용도Methyl 4-(bromomethyl)-3-fluorobenzoate

상·하류 제품 정보

상류 원료

공급사87 곳

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

화합물 노트

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