4-Fluorophenyl isocyanate

HCID 70955CAS 1195-45-5

기본 정보

표준 SMILES: O=C=Nc1ccc(F)cc1
InChIKey: DSVGFKBFFICWLZ-UHFFFAOYSA-N
분자식: C7H4FNO
평균 분자량: 137.11 g/mol
단동위원소 질량: 137.02769197

이름 및 식별자

우선 이름: 4-Fluorophenyl isocyanate
IUPAC: 1-fluoro-4-isocyanatobenzene
영어명: 4-Fluorophenyl isocyanate
분자식: C7H4FNO
분자량: 137.11

이름 및 동의어

4-Fluorophenyl isocyanate1195-45-5Benzene, 1-fluoro-4-isocyanato-EINECS 214-799-0DTXSID00152472NSC 82348RefChem:523455DTXCID1074963206-966-1214-799-01-Fluoro-4-isocyanatobenzene4-fluorophenylisocyanate

이름 더 보기

SB 01844AKOS B022528ZINC00164841F14335_ALDRICH4-Fluorphenylisocyanat4-Fluorophenyl isocyate

p-Fluorophenyl isocyanateMFCD000020231-fluoro-4-isocyanato-benzene4fluorophenyl isocyanatep-fluor-phenylisocyanateB2A7JE8GHWSCHEMBL93163NSC82348

데이터베이스 식별자

CAS: 1195-45-5
PubChem CID: 70955
DTXSID: DTXSID00152472
UNII: B2A7JE8GHW
EC Number: 214-799-0
Nikkaji: J149.484H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 55 °C8 · 55 °C8 mm Hg(lit.)
밀도: 1.206 g/mL · 1.206 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5141(lit.)
인화점: 127 °F · 127 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색투명~연황색
수용성: 물에서 분해되다
BRN: 471609 · 471609
InChI: 1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: DSVGFKBFFICWLZ-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)N=C=O

화학적 성질

CLEAR LIGHT YELLOW TO AMBER LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3080 6.1/PG 2
HS 번호: 29291090
risk_code: 20/21/22-36-42-36/37/38-26
hazard_code: Xn,T,C,T+
safety_code: 23-26-36/37-45-38-28A
포장분류: III
위험 등급: 3
F 고인화성물질: 1-10-19
위험 참고 사항: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도4-Fluorophenyl isocyanate acts as a reagent in the preparation of tris-ureas as transmembrane anion transporters, solid phase combinatorial synthesis of peptides as integrin inhibitors.