4-Bromo-5-fluoro-2-nitrotoluene

HCID 2779365

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 224185-19-7
표준 SMILES: Cc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIKey: MTTNTJRJOFVWSY-UHFFFAOYSA-N
분자식: C7H5BrFNO2
평균 분자량: 234.02 g/mol
단동위원소 질량: 232.94876872

이름 및 식별자

우선 이름: 4-Bromo-5-fluoro-2-nitrotoluene
IUPAC: 1-bromo-2-fluoro-4-methyl-5-nitrobenzene
영어명: 4-Bromo-5-fluoro-2-nitrotoluene
분자식: C7H5BrFNO2
분자량: 234.02

이름 및 동의어

4-Bromo-5-fluoro-2-nitrotoluene224185-19-7DTXSID70381414RefChem:290941DTXCID00332439625-785-21-bromo-2-fluoro-4-methyl-5-nitrobenzene1-bromo-2-fluoro-4-methyl-5-nitro-benzeneMFCD040392994-BROMO-3-FLUORO-6-NITROTOLUENEBenzene, 1-bromo-2-fluoro-4-methyl-5-nitro-AKOS025243443

이름 더 보기

1-Bromo-2-fluoro-4-methyl-5-n2-Nitro-4-Bromo-5-Fluorotoluene4-Bromo-5-fluoro-2-nitortoluene4-Bromo-5-fluoro-2-nitrotoluene 99%Benzene,1-broMo-2-fluoro-4-Methyl-5-nitro-4-Bromo-5-fluoro-2-nitrotoluene ISO 9001：2015 REACH

4-Bromo-5-fluoro-2-nitrotoluene, 97%SY0206793-Bromo-4-fluoro-6-methylnitrobenzene4-bromo-5-fluoro-1-methyl-2-nitrobenzeneAM20030384SCHEMBL451039SCHEMBL27879486MTTNTJRJOFVWSY-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 224185-19-7
PubChem CID: 2779365
DTXSID: DTXSID70381414
EC Number: 625-785-2

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 59 · 59-63°C
끓는 점: 266.6 · 266.6±35.0 °C(Predicted)
밀도: 1.696 · 1.696±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 크림색
InChI: 1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
InChIKey: MTTNTJRJOFVWSY-UHFFFAOYSA-N
SMILES: Cc1cc(F)c(Br)cc1[N+]([O-])=O

화학적 성질

pale yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.