(5-브로모-2-니트로-페닐)-메틸-아민

5-bromo-N-methyl-2-nitroaniline

HCID 10609530

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 302800-13-1
표준 SMILES: CNc1cc(Br)ccc1[N+](=O)[O-]
InChIKey: FTVGSRGPTYFWRQ-UHFFFAOYSA-N
분자식: C7H7BrN2O2
평균 분자량: 231.05 g/mol
단동위원소 질량: 229.96909

이름 및 식별자

우선 이름: 5-bromo-N-methyl-2-nitroaniline
IUPAC: 5-bromo-N-methyl-2-nitroaniline
현지명: (5-브로모-2-니트로-페닐)-메틸-아민
영어명: (5-Bromo-2-nitro-phenyl)-methyl-amine
분자식: C7H7BrN2O2
분자량: 231.05

이름 및 동의어

5-BROMO-N-METHYL-2-NITROANILINE302800-13-1DTXSID30442474RefChem:534015DTXCID30393295999-233-7(5-Bromo-2-nitro-phenyl)-methyl-amineBenzenamine, 5-bromo-N-methyl-2-nitro-MFCD098625135-BROMO-N-METHYL-2-NITRO-BENZENAMINESCHEMBL626410CMA80013

이름 더 보기

(5-브로모-2-니트로-페닐)-메틸-아민BenzenaMine, 5-broMo-N-Me...5-broMo-N-Methyl-2-nitrobenzenaMine4-Bromo-2-methylamino-1-nitrobenzene

5-bromo-N-methyl-2-nitro-aniline5-Bromo-N-methyl-2SCHEMBL29569609AKOS014676655AKOS034830292PB16194BS-22252SY042216

데이터베이스 식별자

CAS: 302800-13-1
PubChem CID: 10609530
DTXSID: DTXSID30442474
EC Number: 999-233-7

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 115 · 115-116 °C
끓는 점: 327.5 · 327.5±32.0 °C(Predicted)
밀도: 1.687 · 1.687
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): -1.33 · -1.33±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.