2-Chloro-4-fluoro-5-nitrotoluene

HCID 10103979

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 112108-73-3
표준 SMILES: Cc1cc([N+](=O)[O-])c(F)cc1Cl
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
분자식: C7H5ClFNO2
평균 분자량: 189.57 g/mol
단동위원소 질량: 188.9992843

이름 및 식별자

우선 이름: 2-Chloro-4-fluoro-5-nitrotoluene
IUPAC: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene
영어명: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE
분자식: C7H5ClFNO2
분자량: 189.57

이름 및 동의어

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3DTXSID60435612RefChem:258751DTXCID60386438834-027-11-chloro-5-fluoro-2-methyl-4-nitrobenzene1-chloro-5-fluoro-2-methyl-4-nitro-benzeneMFCD11110549Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro-2-Chloro-4fluoro-5-nitrotolueneAKOS006308726

이름 더 보기

2-Chloro-4-fluoro-5-nitrotoluene,97%4-Chloro-2-fluoro-5-methylnitrobenzene1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE ISO 9001：2015 REACH4-Chloro-2-fluoro-5-methylnitrobenzene, 1-Chloro-5-fluoro-2-methyl-4-nitrobenzene

AS-11489C3273BCP12284FT-0699691SCHEMBL600893Chloro-4-fluoro-5-nitrotolueneSCHEMBL10714257SCHEMBL29936995

데이터베이스 식별자

CAS: 112108-73-3
PubChem CID: 10103979
DTXSID: DTXSID60435612
EC Number: 834-027-1

물성

구조 계산 물성

XLogP: 2.8
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: 34 · 34-36℃
끓는 점: 268 ℃ · 268℃
밀도: 1.417 · 1.417
인화점: 116 ℃ · 116℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
색상: 노란색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
SMILES: C1(Cl)=CC(F)=C([N+]([O-])=O)C=C1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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)

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.；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.