메틸2-브로모메틸-6-니트로-벤조에이트

Methyl 2-(bromomethyl)-6-nitrobenzoate

HCID 21708527

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61940-21-4
표준 SMILES: COC(=O)c1c(CBr)cccc1[N+](=O)[O-]
InChIKey: SJJJFLXTGHEZJB-UHFFFAOYSA-N
분자식: C9H8BrNO4
평균 분자량: 274.07 g/mol
단동위원소 질량: 272.96366984

이름 및 식별자

우선 이름: Methyl 2-(bromomethyl)-6-nitrobenzoate
IUPAC: methyl 2-(bromomethyl)-6-nitrobenzoate
현지명: 메틸2-브로모메틸-6-니트로-벤조에이트
영어명: Methyl 2-bromomethyl-6-nitro-benzoate
분자식: C9H8BrNO4
분자량: 274.07

이름 및 동의어

Methyl 2-(bromomethyl)-6-nitrobenzoate61940-21-4DTXSID70617200RefChem:353909DTXCID30567954822-869-2METHYL 2-BROMOMETHYL-6-NITRO-BENZOATEMFCD04114314Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl estermethyl 2-bromomethyl-6-nitrobenzoate2-Bromomethyl-6-nitrobenzoic Acid Methyl Ester2-bromomethyl-6-nitro-benzoic acid methyl ester

이름 더 보기

메틸2-브로모메틸-6-니트로-벤조에이트-6-nitrobenzoateLenalidomide Impurity 18Methyl 2-(bromomethyl)-6-nitrobenzoaiteMethyl 2-(bromomethyl)-6-nitrobenzoate 98%Methyl 2-(bromomethyl)-6-nitrobenzoate 98%Methyl 2-(bromomethyl)-6-nitrobenzoate 98%

AKOS015916897AB18050DS-2420Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl ester (9CI, ACI); Methyl 2-(2-bromomethyl)-6-nitrobenzoate; Methyl 2-(Bromomethyl)-6-nitrobenzoateMethyl2-(bromomethyl)-6-nitrobenzoateMethyl 2-(bromomethyl)-6-nitro-benzoateMethyl 2-(2-Bromomethyl)-6-nitrobenzoateLenalidomide Impurity 107

데이터베이스 식별자

CAS: 61940-21-4
PubChem CID: 21708527
DTXSID: DTXSID70617200
EC Number: 822-869-2
Nikkaji: J3.367.937H

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 84 · 84-86°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.