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기본 정보
- CAS
4025-75-6- 표준 SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)cc1- InChIKey
CAXRPEAFHWDFTD-UHFFFAOYSA-N- 분자식
- C7H6ClNO4S
- 평균 분자량
- 235.65 g/mol
- 단동위원소 질량
- 234.9706065
이름 및 식별자
- 우선 이름
- (4-Nitrophenyl)methanesulfonyl chloride
- IUPAC
- (4-nitrophenyl)methanesulfonyl chloride
- 현지명
- (4-니트로페닐)메탄술포닐클로라이드
- 영어명
- (4-Nitrophenyl)methanesulfonyl chloride
- 분자식
- C7H6ClNO4S
- 분자량
- 235.64
이름 및 동의어
(4-Nitrophenyl)methanesulfonyl chloride4025-75-6DTXSID80383287RefChem:403073DTXCID40334311609-806-2MFCD000340304-NITRO-ALPHA-TOLUENESULFONYL CHLORIDE(4-nitrophenyl)methanesulfonylchloride4-Nitrobenzylsulfonyl chloride4-nitrobenzyl sulfonyl chlorideSCHEMBL1425484
이름 더 보기
(4-니트로페닐)메탄술포닐클로라이드Sumatriptan Impurity 8(4-Nitrophenyl)methanesulfonyl1-(4-NITROBENZYLSULFONYL)CHLORIDE4-Nitro-α-toluenesulfonyl chloride(4-Nitrophenyl)methylsulfonyl chloride4-Nitrobenzenemethanesulfonyl chloride4-[(Chlorosulphonyl)methyl]nitrobenzene4-Nitro-ɑ-toluenesulfonyl chloride, 97%
4-nitrobenzyl sulphonyl chlorideCAXRPEAFHWDFTD-UHFFFAOYSA-N4-nitrophenylmethanesulfonylchloride4-Nitro-|A-toluenesulfonyl chloride4-nitrophenylmethanesulfonyl chloridechloro[(4-nitrophenyl)methyl]sulfoneSBB0984724-nitrophenylmethanesulphonyl chloride
데이터베이스 식별자
- CAS
4025-75-6- PubChem CID
- 2794642
- DTXSID
DTXSID80383287- EC Number
- 609-806-2
물성
구조 계산 물성보충 중
- XLogP
- 2.1
- 극성 표면적
- 88.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 297
물리화학적 성질
- 녹는점
- 91 · 91-92°C
- 끓는 점
- 396.4 · 396.4±25.0 °C(Predicted)
- 밀도
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 수용성
- 물과 반응합니다.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.
Danger
H261 (12.5%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；H314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (12.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361f (12.5%): Suspected of damaging fertility [Warning Reproductive toxicity]
P203, P231+P232, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P333+P317, P362+P364, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 8 reports by companies.；There are 4 notifications provided by 7 of 8 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30271
Hazard Classes and CategoriesWater-react. 2 (12.5%)；Skin Corr. 1B (87.5%)；Skin Sens. 1A (12.5%)；Eye Dam. 1 (12.5%)；Repr. 2 (12.5%)
규제 정보
Regulatory Information
화학 및 산업
응용 분야
용도4-Nitrobenzylsulfonyl Chloride is used for preparation of HIV-1 Tat protein via native chemical ligation between a peptide thioester and a peptide containing (mercapto)leucine at N-terminus followed by desulfurization.
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