Methyl 3,5-dibromo-4-methylbenzoate

HCID 624016

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74896-66-5
표준 SMILES: COC(=O)c1cc(Br)c(C)c(Br)c1
InChIKey: SRLAXDDPVYZYNI-UHFFFAOYSA-N
분자식: C9H8Br2O2
평균 분자량: 307.97 g/mol
단동위원소 질량: 305.8891037

이름 및 식별자

우선 이름: Methyl 3,5-dibromo-4-methylbenzoate
IUPAC: methyl 3,5-dibromo-4-methylbenzoate
영어명: Methyl 3,5-dibromo-4-methylbenzoate
분자식: C9H8Br2O2
분자량: 307.97

이름 및 동의어

Methyl 3,5-dibromo-4-methylbenzoate74896-66-53,5-Dibromo-4-methylbenzoic Acid Methyl EsterDTXSID10347630RefChem:814665DTXCID40298702616-164-7Methyl 3,5-Dibromo-p-toluateMFCD000107293,5-Dibromo-p-toluic Acid Methyl Estermethyl 3,5-dibromo-4-methyl-benzoateSCHEMBL1070461

이름 더 보기

3,5-dibromo-4-methyl benzoateMethyl3,5-Dibromo-4-methylbenzoate>3,5-DIBROMO-P-TOLUIC ACID METHYL ESTERBenzoic acid, 3,5-dibroMo-4-Methyl-, Methyl esterMethyl 3,5-dibromo-p-toluate, 2,6-Dibromo-4-(methoxycarbonyl)toluene3,5-Dibromo-p-toluic Acid Methyl Ester 3,5-Dibromo-4-methylbenzoic Acid Methyl Ester Methyl 3,5-Dibromo-p-toluate

BBL018957STL119724AKOS005133995FM71024PS-7095SY049503DB-055921CS-0179383

데이터베이스 식별자

CAS: 74896-66-5
PubChem CID: 624016
DTXSID: DTXSID10347630
EC Number: 616-164-7
Nikkaji: J410.676H

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 88 · 88-90 °C(lit.)
끓는 점: 314 · 314.0±37.0 °C(Predicted)
밀도: 1.75 · 1.750±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 2580945 · 2580945

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.