3-Fluorophenyl isocyanate

HCID 123064CAS 404-71-7

기본 정보

표준 SMILES: O=C=Nc1cccc(F)c1
InChIKey: RIKWVZGZRYDACA-UHFFFAOYSA-N
분자식: C7H4FNO
평균 분자량: 137.11 g/mol
단동위원소 질량: 137.02769197

이름 및 식별자

우선 이름: 3-Fluorophenyl isocyanate
IUPAC: 1-fluoro-3-isocyanatobenzene
영어명: 3-Fluorophenyl isocyanate
분자식: C7H4FNO
분자량: 137.11

이름 및 동의어

3-Fluorophenyl isocyanate404-71-7m-Fluorophenyl isocyanateBenzene, 1-fluoro-3-isocyanato-EINECS 206-966-1DTXSID20193403RefChem:93966DTXCID90115894RIKWVZGZRYDACA-UHFFFAOYSA-N1-Fluoro-3-isocyanatobenzene3-Fluorophenylisocyanate1-fluoro-3-isocyanato-benzene

이름 더 보기

3-Isocyanatofluorobenzene3-FLUOROBENZENE ISOCYANATE3-FluorophenylIsocyanate>3-Fluorophenylisocyanate97%3-Fluoro-1-isocyanatobenzene3-Fluorophenyl isocyanate 97%3-Fluorophenyl isocyanate ,98%

m-fluorophenylisocyanate3-fluoro-phenylisocyanate3-fluorophenyl-isocyanateMFCD000020153-fluoro-phenyl isocyanate3-fluoro-isocyanato-benzene3-fluorobenzenisocyanatem-Fluorop

데이터베이스 식별자

CAS: 404-71-7
PubChem CID: 123064
DTXSID: DTXSID20193403
UNII: UQY8BHX3TB
Nikkaji: J213.662G

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: 154

물리화학적 성질

끓는 점: 56 · 56-58°C 14mm
밀도: 1.201 g/mL · 1.201 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.514(lit.)
인화점: 107 °F · 107 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색의
BRN: 774879 · 774879
InChI: 1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey: RIKWVZGZRYDACA-UHFFFAOYSA-N
SMILES: Fc1cccc(c1)N=C=O

화학적 성질

clear colorless liquid

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 3080 6.1/PG 2
HS 번호: 29291090
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn,T,C
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 3
F 고인화성물질: 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 Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도3-Fluorophenyl isocyanate was used in the synthesis of linezolid. It was also used in the preparation of substituted 6-ureidopurines, 6(N2-3-fluorophenyl)ureidopurine.

일반 설명3-Fluorophenyl isocyanate is an aryl fluorinated building block used in chemical synthesis.