기본 정보
- CAS
102561-42-2- 표준 SMILES
Cc1ccc(N=C=O)cc1F- InChIKey
FWRCOINKYLERQL-UHFFFAOYSA-N- 분자식
- C8H6FNO
- 평균 분자량
- 151.14 g/mol
- 단동위원소 질량
- 151.04334203
이름 및 식별자
- 우선 이름
- 3-Fluoro-4-methylphenyl isocyanate
- IUPAC
- 2-fluoro-4-isocyanato-1-methylbenzene
- 현지명
- 3-FLUORO-4-METHYLPHENYL이소티오시아네이트
- 영어명
- 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE
- 분자식
- C8H6FNO
- 분자량
- 151.14
이름 및 동의어
2-fluoro-4-isocyanato-1-methylbenzene102561-42-23-Fluoro-4-methylphenyl isocyanateDTXSID101298356RefChem:501792DTXCID401728510624-795-43-fluoro-4-methylphenylisocyanateMFCD000370712-fluoro-4-isocyanato-1-methyl-benzeneBenzene, 2-fluoro-4-isocyanato-1-methyl-SCHEMBL420468
이름 더 보기
3-FLUORO-4-METHYLPHENYL이소티오시아네이트2-Fluoro-4-isocyanato-1-methyl-benze3-Fluoro-4-methylphenylisocyanate97%3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE3-Fluoro-4-methylphenyl isocyanate 97%Benzene, 2-fluoro-4-isocyanato-1-methyl- (9CI)2-fluoro-4-isocyanato-1-methylbenzene(SALTDATA: FREE)
FWRCOINKYLERQL-UHFFFAOYSA-NALBB-0030442-fluoro-4isocyanato-1-methylbenzeneAKOS0001846341-fluoro-5-isocyanato-2-methyl-benzenePS-102873-Fluoro-4-methylphenyl isocyanate, 98%EN300-146755
데이터베이스 식별자
- CAS
102561-42-2- PubChem CID
- 2737398
- DTXSID
DTXSID101298356- EC Number
- 624-795-4
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 177
물리화학적 성질
- 끓는 점
- 187 · 187-192 °C(lit.)
- 밀도
- 1.175 g/mL · 1.175 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.516(lit.)
- 인화점
- 175 °F · 175 °F
- 물리적 상태
- 액체
- 색상
- Clear, faint yellow
- InChI
- 1S/C8H6FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
- InChIKey
- FWRCOINKYLERQL-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1F)N=C=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2929100090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도3-Fluoro-4-methylphenyl isocyanate may be used in the synthesis of 3-fluoro analogue of 5-(acetamido-methyl)oxazolidinones.
일반 설명3-Fluoro-4-methylphenyl isocyanate, also known as 2-fluoro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group.
상·하류 제품 정보
상류 원료
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