기본 정보
- CAS
49647-20-3- 표준 SMILES
CC(=O)c1ccc(N=C=O)cc1- InChIKey
MOZSVHZOUDIZMF-UHFFFAOYSA-N- 분자식
- C9H7NO2
- 평균 분자량
- 161.16 g/mol
- 단동위원소 질량
- 161.04767846
이름 및 식별자
- 우선 이름
- 4-Acetylphenyl isocyanate
- IUPAC
- 1-(4-isocyanatophenyl)ethanone
- 현지명
- 4-아세틸페닐이소시아네이트
- 영어명
- 4-Acetylphenyl isocyanate
- 분자식
- C9H7NO2
- 분자량
- 161.16
이름 및 동의어
4-Acetylphenyl isocyanateRefChem:517345628-339-549647-20-31-(4-Isocyanatophenyl)ethanone4-Acetylphenylisocyanate4-IsocyanatoacetophenoneEthanone, 1-(4-isocyanatophenyl)-1-(4-isocyanatophenyl)ethan-1-oneMFCD00013879NSC2230884-acetylbenzenisocyanate
이름 더 보기
4-아세틸페닐이소시아네이트ZINC01756749439932_ALDRICH4-Acetylphenylisocyanate-97%1-ACETYL-4-ISOCYANATOBENZENE
4isocyanatoacetophenonep-acetylphenyl isocyanateEthanone, 1-(4-isocyanatophenyl)- (9CI)4-acetyl phenyl isocyanateSCHEMBL2197634-Acetylphenyl isocyanate 97%4-Acetylphenyl isocyanate, 97%4-ISOCYANATO ACETOPHENONE
데이터베이스 식별자
- CAS
49647-20-3- PubChem CID
- 99452
- DTXSID
DTXSID00197949- EC Number
- 628-339-5
- Nikkaji
- J410.665B
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 211
물리화학적 성질
- 녹는점
- 35 · 35-37 °C(lit.)
- 끓는 점
- 139 °C14 · 139 °C14 mm Hg(lit.)
- 밀도
- 1.248 · 1.2480 (rough estimate)
- 굴절률
- 1.505 · 1.5050 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Light yellow
- BRN
- 2803022 · 2803022
- InChI
- 1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3
- InChIKey
- MOZSVHZOUDIZMF-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(cc1)N=C=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 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
- ridadr
- 2206
- HS 번호
- 2929.10.8090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 7-26-27-37/39
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Acetylphenyl isocyanate may be used for the preparation of isocyanate-treated graphene oxide (iGO). It may be used for the following syntheses:(4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate (4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl phenyl acetate2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
일반 설명4-Acetylphenyl isocyanate is a reactive isocyanate and had one carbamate unit for every 7.6 graphene carbons.
공급사66 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
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