4-Chloro-1-fluoro-2-nitrobenzene

HCID 67660CAS 345-18-6

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(Cl)ccc1F
InChIKey: DIAWBHLTWNWYGR-UHFFFAOYSA-N
분자식: C6H3ClFNO2
평균 분자량: 175.54 g/mol
단동위원소 질량: 174.9836342

이름 및 식별자

우선 이름: 4-Chloro-1-fluoro-2-nitrobenzene
IUPAC: 4-chloro-1-fluoro-2-nitrobenzene
영어명: 5-Chloro-2-fluoronitrobenzene
분자식: C6H3ClFNO2
분자량: 175.54

이름 및 동의어

5-chloro-2-fluoronitrobenzene4-Chloro-1-fluoro-2-nitrobenzene2-fluoro-5-chloronitrobenzeneBenzene, 4-chloro-1-fluoro-2-nitro-1-CHLORO-4-FLUORO-3-NITROBENZENEMAM88XP8XPEINECS 206-457-4DTXSID201880561-FLUORO-4-CHLORO-2-NITROBENZENE3-CHLORO-6-FLUORO-1-NITROBENZENE2-FLUORO-5-CHLORO-1-NITROBENZENERefChem:98296

이름 더 보기

5-Chloro-2-fluoronit5-chloro-2-fluoronitrobenzenen4-CHLORO-2-NITRO FLUORO BENZENE1-Nitro-2-fluoro-5-chlorobenzene1-Fluoro-2-nitro-4-chlorobenzene5-Chloro-2-fluoronitrobenzene 97%

DTXCID50110547345-18-64-chloro-1-fluoro-2-nitro-benzeneMFCD00069418SCHEMBL3063755-chloro-2-fluoro nitrobenzeneSCHEMBL17145919CS-W019164

데이터베이스 식별자

CAS: 345-18-6
PubChem CID: 67660
DTXSID: DTXSID20188056
UNII: MAM88XP8XP
EC Number: 206-457-4
Nikkaji: J193.795B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 8.3 °C · 8.3 °C
끓는 점: 236 °C · 236 °C
밀도: 1.49 g/ml · 1.49g/ml
굴절률: 1.549 · 1.5490-1.5530
인화점: 97 °C · 97 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
Specific Gravity: 1.48 · 1.48

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)

안전 데이터

wgk: 3
ridadr: UN 3261 8 / PGII
HS 번호: 2904990090
risk_code: 20/21/22-36/37/38-34
hazard_code: Xi,C
safety_code: 36/37/39-45
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도5-Chloro-2-fluoronitrobenzene is an organic synthetic reagent or pharmaceutical intermediate component. It can be used in the synthesis of aniline intermediates of ureidoolefins, and the amino and hydroxyl groups at the 4-position of these aniline intermediates are useful in the further preparation of macrocyclic urea kinase inhibitors.