Methyl 3,4-bis(bromomethyl)benzoate

HCID 2736819

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20896-23-5
표준 SMILES: COC(=O)c1ccc(CBr)c(CBr)c1
InChIKey: PZOQMRZOUBBQFO-UHFFFAOYSA-N
분자식: C10H10Br2O2
평균 분자량: 321.99 g/mol
단동위원소 질량: 319.90475376

이름 및 식별자

우선 이름: Methyl 3,4-bis(bromomethyl)benzoate
IUPAC: methyl 3,4-bis(bromomethyl)benzoate
영어명: METHYL 3,4-BIS(BROMOMETHYL)BENZOATE
분자식: C10H10Br2O2
분자량: 321.99

이름 및 동의어

methyl 3,4-bis(bromomethyl)benzoate20896-23-5DTXSID40371625RefChem:354520DTXCID60322659Benzoic acid, 3,4-bis(bromomethyl)-, methyl esterMFCD00219865methyl 3,4-bis-(bromomethyl)benzoateSCHEMBL1028046SCHEMBL29559628PZOQMRZOUBBQFO-UHFFFAOYSA-NAKOS002254645

이름 더 보기

BUTTPARK 33\04-36SALOR-INT L158194-1EAMethyl 3,4-bis(bromomethyl)ethyl 3,4-bis(bromomethyl)benzoatemethyl 3,4-di(bromomethyl)benzoateMethyl3,4-bis(bromomethyl)benzoate97%

PS-9916SY122832CS-0037224ST502105553,4-bis-bromomethyl-benzoic acid methyl esterF017294

데이터베이스 식별자

CAS: 20896-23-5
PubChem CID: 2736819
DTXSID: DTXSID40371625
EC Number: 673-066-7

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: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 197

물리화학적 성질

끓는 점: 369.5 · 369.5±42.0 °C(Predicted)
밀도: 1.728 · 1.728±0.06 g/cm3(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)

안전 데이터

HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도Methyl 3,4-bis(bromomethyl)benzoate is a reagent used in the preparation of sulfones through oxidation of 1,3-dihydrobenzo[c]thiophenes. Also is used in the synthesis of potent histone deacetylase inhibitors.