Methyl 2-Bromo-5-nitrobenzoate

HCID 245494CAS 6942-36-5

기본 정보

표준 SMILES: COC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIKey: VSEYYEKRZNRECT-UHFFFAOYSA-N
분자식: C8H6BrNO4
평균 분자량: 260.04 g/mol
단동위원소 질량: 258.94801977

이름 및 식별자

우선 이름: Methyl 2-Bromo-5-nitrobenzoate
IUPAC: methyl 2-bromo-5-nitrobenzoate
영어명: Methyl 2-bromo-5-nitrobenzoate
분자식: C8H6BrNO4
분자량: 260.04

이름 및 동의어

Methyl 2-bromo-5-nitrobenzoateVSEYYEKRZNRECT-UHFFFAOYSA-DTXSID70288757RefChem:157303DTXCID90239903623-531-5InChI=1/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3VSEYYEKRZNRECT-UHFFFAOYSA-N6942-36-52-Bromo-5-nitrobenzoic Acid Methyl EsterMFCD00010867methyl 2-bromo-5-nitro-benzoate

이름 더 보기

METHYL 2-BROMO-5-NITROBENZOIC ACIDMethyl 2-Bromo-5-nitrobenzoate >Methyl 2-bromo-5-nitrobenzoate 97%Methyl 2-bromo-5-nitrobenzoate, 98+%Methyl 2-bromo-5-nitrobenzoate ISO 9001：2015 REACH

Methyl2-bromo-5-nitrobenzoateNSC57462SCHEMBL5273972-bromo-5-nitro-benzoic acid methyl esterNSC-57462AKOS009158153O11866BENZOIC ACID, 2-BROMO-5-NITRO-, METHYL ESTER

데이터베이스 식별자

CAS: 6942-36-5
PubChem CID: 245494
DTXSID: DTXSID70288757
EC Number: 623-531-5
Nikkaji: J265.566G

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 240

물리화학적 성질

녹는점: 79 · 79-81 °C (lit.)
끓는 점: 326.7 · 326.7±22.0 °C(Predicted)
밀도: 1.673 · 1.673±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, DCM, 에틸아세테이트 에 용해됨
물리적 상태: 결정성 분말
색상: 노란색
BRN: 2617575 · 2617575
InChI: 1S/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChIKey: VSEYYEKRZNRECT-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(ccc1Br)[N+]([O-])=O

화학적 성질

yellow crystalline powder

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.