메틸2-(4-브로모-2-니트로페닐)아세테이트

Methyl 4-bromo-2-nitrophenylacetate

HCID 15740598

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100487-82-9
표준 SMILES: COC(=O)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: KHXUTOLCCFWPDH-UHFFFAOYSA-N
분자식: C9H8BrNO4
평균 분자량: 274.07 g/mol
단동위원소 질량: 272.96367

이름 및 식별자

우선 이름: Methyl 4-bromo-2-nitrophenylacetate
IUPAC: methyl 2-(4-bromo-2-nitrophenyl)acetate
현지명: 메틸2-(4-브로모-2-니트로페닐)아세테이트
영어명: Methyl 2-(4-bromo-2-nitrophenyl)acetate
분자식: C9H8BrNO4
분자량: 274.07

이름 및 동의어

Methyl 4-bromo-2-nitrophenylacetateRefChem:816253800-912-6methyl 2-(4-bromo-2-nitrophenyl)acetate100487-82-9Benzeneacetic acid, 4-bromo-2-nitro-, methyl esterMFCD09027267METHYL2-(4-BROMO-2-NITROPHENYL)ACETATEmethyl (4-bromo-2-nitrophenyl)acetateMethyl 4-Bromo-2-nitrophenylacetaemethyl 2-(4-bromo-2-nitrophenyl) acetatemethyl 2-(4-bromo-2-nitroph

이름 더 보기

메틸2-(4-브로모-2-니트로페닐)아세테이트Methyl4-bromo-2-nitrophenylacetate98%4-Bromo-2-nitrobenzeneacetic acid methyl ester(4-BroMo-2-nitro-phenyl)-acetic acid Methyl ester4-Bromo-2-nitrophenylacetic acid methyl ester, 5-Bromo-2-(2-methoxy-2-oxoethyl)nitrobenzene

SCHEMBL1613045SCHEMBL30314841DTXSID40577761KHXUTOLCCFWPDH-UHFFFAOYSA-NAKOS015835562AS-68362SY103834methyl 2-(4-bromo-2-nitro-phenyl)acetate

데이터베이스 식별자

CAS: 100487-82-9
PubChem CID: 15740598
DTXSID: DTXSID40577761
EC Number: 800-912-6

물성

구조 계산 물성

XLogP: 2.2
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

끓는 점: 331.7 · 331.7±27.0 °C(Predicted)
밀도: 1.609 · 1.609±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.