N-Acetylsulfanilyl chloride (HCID 8481)

개요

ASC has been investigated for the screening of Patients Undergoing Screening or Surveillance Colonoscopy.

이름 및 식별자

우선 이름: N-Acetylsulfanilyl chloride
IUPAC: 4-acetamidobenzenesulfonyl chloride
현지명: 4-(아세틸아미노)벤젠설포닐 클로라이드
영어명: N-Acetylsulfanilyl chloride
분자식: C8H8ClNO3S
분자량: 233.67

이름 및 동의어

N-Acetylsulfanilyl chloride121-60-84-Acetamidobenzenesulfonyl chloride4-Acetamidobenzene-1-Sulfonyl Chloride4-(ACETYLAMINO)BENZENESULFONYL CHLORIDEDagenan chloride4-Acetamidophenylsulfonyl chlorideBenzenesulfonyl chloride, 4-(acetylamino)-p-Acetamidobenzenesulfonyl chlorideAcetylsulfanilyl chloridep-Acetaminobenzenesulfonyl chlorideAcetanilide-p-sulfonyl chloride

이름 더 보기

4-(아세틸아미노)벤젠설포닐클로라이드4-(아세틸아미노)벤젠설포닐클로라이드ASCNASCN-Acetylsulfanilyl c4-ACETYLAMINO BENZENESULFONYL CHLORIDECARD5AZNETANSC 127860

Sulfanilyl chloride, N-acetyl-N4-Acetylsulfanilyl chloridep-Acetylaminobenzenesulfochloride4-Chlorosulfonylacetanilidep-Acetamidophenylsulfonyl chlorideN-Acetylsulphanilyl chloridep-(Chlorosulfonyl)acetanilideMFCD00007442

데이터베이스 식별자

CAS: 121-60-8
PubChem CID: 8481
DTXSID: DTXSID8026981
ChEMBL: CHEMBL3185390
UNII: LIX4M9AIVM
EC Number: 204-485-1
Nikkaji: J5.341D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 71.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 301

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids

DrugsPharmaceuticals -> Listed in ZINC15

OdorSLIGHT ODOR OF ACETIC ACID

Color/Form · 3건

NEEDLES FROM BENZENE; PRISMS FROM BENZENE-CHLOROFORM

THICK, LIGHT TAN PRISMS FROM BENZENE

LIGHT TAN TO BROWNISH POWDER OR FINE CRYSTALS

SolubilityVERY SOL IN ETHER, ALCOHOL; SOL IN HOT CHLOROFORM; SOLUBLE IN HOT BENZENE

Melting Point149 °C

물리화학적 성질

녹는점: 142 · 142-145 °C (dec.)(lit.)
끓는 점: 426.8 · 426.8±28.0 °C(Predicted)
밀도: 1.2977 · 1.2977 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.63 · 1.6300 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
산도 계수 (pKa): 13.75 · 13.75±0.70(Predicted)
물리적 상태: 입상 결정질 분말 또는 결정
색상: 흰색~크림베이지
수용성: 약간 용해됨
Merck: 14 · 14,103
BRN: 746676 · 746676
InChI: 1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey: GRDXCFKBQWDAJH-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(cc1)S(Cl)(=O)=O
LogP: 2.05 at · 2.05 at 25℃
NIST: P-acetamidobenzene sulfonyl chloride(121-60-8)
EPA: 4 · Benzenesulfonyl chloride, 4-(acetylamino)- (121-60-8)

화학적 성질

OFF-WHITE TO SLIGHTLY GREY GRANULAR CRYST. POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.5% (1 of 207) of reports.

Danger

H314 (47.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 207 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Benzenesulfonyl chloride, 4-(acetylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonyl chloride, 4-(acetylamino)- 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)

Status: Active Update: 30-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5698

4-Acetamidobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

A skin, eye, and mucous membrane irritant; [Merck Index] Causes weakness and ataxia in lethal dose studies; [RTECS] Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Exposure may cause convulsions; [MSDSonline]

Hazard Classes and CategoriesSkin Corr. 1B (47.8%)

Skin, Eye, and Respiratory IrritationsIRRITANT TO SKIN, EYES, & MUCOUS MEMBRANES OF NOSE & THROAT.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Human Toxicity ExcerptsIRRITANT TO SKIN, EYES, AND MUCOUS MEMBRANES OF NOSE AND THROAT.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DB8837500
ridadr: UN 3261 8/PG 2
독성: LD50 oral in rat: > 3200mg/kg
HS 번호: 29242995
risk_code: 22-34-37
hazard_code: C
safety_code: 26-36/37/39-45-28B
포장분류: II
위험 등급: 8
기존화학 물질: KE-00083
F 고인화성물질: 9-21
Hazard Classifications: Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials
유해 물질 데이터: 121-60-8(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 3건

Used as an intermediate in the preparation of sulfanilamide and its derivatives; [Merck Index]

INTERMEDIATE IN PREPN OF SULFANILAMIDE & ITS DERIVATIVES

CHEM INT FOR SULFONAMIDE PHARMACEUTICALS-EG, SULFATHIAZOLE

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) 7.36X10+7 GRAMS (PRINCPL CUSTMS DISTS)

(1979) 1.30X10+9 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3건

2021: 13,228 lb

(1977) PROBABLY GREATER THAN 4.54X10+6 GRAMS

(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS

Consumption PatternsESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE

Consumer UsesPolymerization promoter

응용 분야 · 2건

용도N-Acetylsulfanilyl chloride is usedin the preparation of sulfanilamide and its derivatives which are intermediates to produce sulfa drugs. They are used in the prevention and treatment of bacterial infections, diabetes mellitus, edema, hypertension, and gout. It is also used as a Pharma raw material. N-Acetylsulfanilyl chloride widely used in the fields of dye, medicine, mainly used for preparation of Sulfanilamide, Sulfanilylureal, Sulfatolamide, Sulphathiourea , Sulfaguanidine and Sulfacetamide and etc.

일반 설명L-hydroxyproline has been derivatized with N-acetylsulfanilyl chloride and 5-chlorovaleric acid during the synthesis of the haptens HP1 and HP2.

제조 방법 · 1건

생산 방법Acetanilide is introduced into stirred chlorosulfuric acid solution at 20 ℃. The solution is then heated to 55 ℃ and kept at this temperature for 1.5 h. The solution is cooled to 20 ℃ and introduced as a thin jet into water, the temperature of which is kept at 0 – 5 ℃ by external cooling. The precipitated sulfochloride is filtered and washed with cold water until neutral to Congo Red. Yield is 80 – 82%. The crude product contains about 60% water; the dried product melts at 144 – 147 ℃. About 1 – 2% of bis(acetylaminophenyl) sulfone is obtained as a byproduct. If thionyl chloride is added, less chlorosulfuric acid is needed because it can be replaced partly byoleum. The product is stable for several days if kept in a cool place. It is generally used directly in the moist state. 4-(Acetylamino)benzenesulfonyl chloride is an important intermediate in the manufacture of sulfonamides and in the synthesis of parabase ester.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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4-(아세틸아미노)벤젠설포닐 클로라이드

기본 정보

개요