메틸2-(이소시아네이토설포닐)벤조에이트
Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
기본 정보
- CAS
74222-95-0- 표준 SMILES
COC(=O)c1ccccc1S(=O)(=O)N=C=O- InChIKey
HVQWYKPSNHGIDD-UHFFFAOYSA-N- 분자식
- C9H7NO5S
- 평균 분자량
- 241.22 g/mol
- 단동위원소 질량
- 241.0044935
이름 및 식별자
- 우선 이름
- Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
- IUPAC
- methyl 2-isocyanatosulfonylbenzoate
- 현지명
- 메틸2-(이소시아네이토설포닐)벤조에이트
- 영어명
- methyl 2-(isocyanatosulphonyl)benzoate
- 분자식
- C9H7NO5S
- 분자량
- 241.22
이름 및 동의어
74222-95-0Benzoic acid, 2-(isocyanatosulfonyl)-, methyl esterEINECS 277-779-0DTXSID3073630RefChem:118336DTXCID9047625methyl 2-isocyanatosulfonylbenzoateMETHYL 2-(ISOCYANATOSULFONYL)BENZOATEMethyl 2-(isocyanatosulphonyl)benzoateBenzoic acid,2-(isocyanatosulfonyl)-, methyl esterMethyl-2-(isocyanatosulfonyl)benzoat2-carbomethoxyphenylsulfonylisocyanate
이름 더 보기
메틸2-(이소시아네이토설포닐)벤조에이트2-(methoxycarbonyl)benzenesulfonyl isocyanate2-(Isocyanatosulfonyl)benzoic acid methyl ester
2-carbomethoxyphenylsulfonyl isocyanate2-carbomethoxybenzene-sulfonyl isocyanate(2-Carbomethoxyphenyl)sulfonyl isocyanateNYK86J2JNASCHEMBL6228820Methyl 2(isocyanatosulfonyl)benzoate2-carbomethoxybenzenesulfonylisocyanatemethyl 2-(isocyanatosulfonyl)-benzoate
데이터베이스 식별자
- CAS
74222-95-0- PubChem CID
- 156281
- DTXSID
DTXSID3073630- UNII
- NYK86J2JNA
- EC Number
- 277-779-0
- Nikkaji
- J318.934A
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 98.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 404
실험 및 물리화학적 성질
Physical DescriptionCBI; Liquid
물리화학적 성질
- 끓는 점
- 150 °C · 150 °C(Press: 1 Torr)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- EPA
- 2 · Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester (74222-95-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 500,000 - <1,000,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester: ACTIVE
응용 분야
용도Methyl 2-(Isocyanatosulfonyl)benzoate is an intermediate in the synthesis of Metsulfuron (M227745), a powerful herbicide used in the control of pests and protection of crops and produce.
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하류 제품
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