기본 정보
- CAS
88-53-9- 표준 SMILES
Cc1cc(N)c(S(=O)(=O)O)cc1Cl- InChIKey
VYZCFAPUHSSYCC-UHFFFAOYSA-N- 분자식
- C7H8ClNO3S
- 평균 분자량
- 221.66 g/mol
- 단동위원소 질량
- 220.991342
이름 및 식별자
- 우선 이름
- C Amine
- IUPAC
- 2-amino-5-chloro-4-methylbenzenesulfonic acid
- 현지명
- 2-아미노-5-클로로-4-메틸벤젠설폰산
- 영어명
- 2-Amino-5-chloro-4-methylbenzenesulfonic acid
- 분자식
- C7H8ClNO3S
- 분자량
- 221.66
이름 및 동의어
88-53-92-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACIDRed Lake C amineBenzenesulfonic acid, 2-amino-5-chloro-4-methyl-DTXSID7026528p-Toluenesulfonic acid, 2-amino-5-chloro-HNF96511X2DTXCID406528C AmineLRCARefChem:5719285-Amino-2-chlorotoluene-4-sulfonic Acid
이름 더 보기
2-아미노-5-클로로-4-메틸벤젠설폰산2-아미노-5-클로로-4-메틸벤젠설폰산(2-AMINO-5-CHLORO-4-METHYLBENZENESULFONICACID)2 AMINO 5 CHLORINE 4 METHYL BENZENESULFONIC ACIDCLTCAcid/CltAcidC Acid, High IsomerLAKE RED C AMINE 97%C Acid, Sambo Grade SC2C Acid, Sambo Grade SC385-AMINO-2-CHLORO-4-SULFOTOLUENE
Lake Red C Amine3-Amino-6-chlorotoluene-4-sulfonic acid2-amino-5-chloro-4-methyl-benzenesulfonic acid2-amino-5-chloro-4-methylbenzene-1-sulfonic acidMFCD000439244-Chloro-m-toluidine-6-sulfonic Acid4-Chloro-5-methylaniline-2-sulfonic Acid5-Amino-2-chlorotoluene-4-sulphonic acid
데이터베이스 식별자
- CAS
88-53-9- PubChem CID
- 6936
- DTXSID
DTXSID7026528- ChEMBL
CHEMBL3182943- UNII
- HNF96511X2
- EC Number
- 201-839-7
- Nikkaji
- J4.427J
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 88.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 274
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Physical Description
CBI
Solid; [IUCLID]
물리화학적 성질
- 녹는점
- 305 ° · >305°
- 끓는 점
- 400 °/760mm · >400°/760mm
- 밀도
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- 수용성
- 물에 거의 녹지 않음
- 산도 계수 (pKa)
- -1.59 · -1.59±0.50(Predicted)
- 물리적 상태
- 가루
- 색상
- White to Light yellow to Light orange
- LogP
- -0.83 at · -0.83 at 23℃ and pH2.6-2.7
- EPA
- 2 · Benzenesulfonic acid, 2-amino-5-chloro-4-methyl- (88-53-9)
화학적 성질
White to pink powder. Essentially insoluble as free acid; soluble as sodium or ammonium salt.
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 2% (3 of 147) of reports.
Danger
H314 (26.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-
Benzenesulfonic acid, 2-amino-5-chloro-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-5-chloro-4-methyl- 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)
REACH registered substance: 5-amino-2-chlorotoluene-4-sulphonic acid (EC: 201-839-7)
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; May cause skin sensitization; [MSDSonline]
Hazard Classes and Categories
Skin Corr. 1B (26.5%)
Serious eye damage/eye irritation - Category 2A
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Environmental BiodegradationBIODEGRADABILITY OF ORG SUBSTANCES IN WASTEWATER BY ACTIVATED-SLUDGE WAS DETERMINED BY EVALUATION OF TOTAL ORG C (TOD) & CODMN REMOVAL EFFICIENCIES. 2-CHLORO-5-AMINO-P-TOLUENESULFONIC ACID WAS RESISTANT TO DEGRADATION.
화학 및 산업
용도 및 제조
Uses
Used in the paint/ lacquer/varnish industry and as an intermediate; [IUCLID]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-: ACTIVE
응용 분야
개요2-Amino-5-chloro-4-methylbenzenesulfonic acid is a colorless to slightly reddish crystalline powder. The compound is obtained by chlorination of p-toluenesulfonic acid to form 3- chloro-4-methylbenzenesulfonic acid, subsequent nitration of this acid to a mixture of nitro isomers, precipitation of the 2-chloro-4-methyl-6-nitrobenzenesulfonic acid with sodium chloride solution, and, finally, Bechamp reduction of the nitro group with iron and acetic acid. The compound is used as Lake Red C and CLT Acid as a diazo component for azo dyes and azo pigments.
용도Intermediate for azo pigments.
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