기본 정보
- CAS
88-22-2- 표준 SMILES
Cc1cc(C)c(N)c(S(=O)(=O)O)c1- InChIKey
CFCXQQUQLZIZPI-UHFFFAOYSA-N- 분자식
- C8H11NO3S
- 평균 분자량
- 201.25 g/mol
- 단동위원소 질량
- 201.04596421
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 2-amino-3,5-dimethyl-
- IUPAC
- 2-amino-3,5-dimethylbenzenesulfonic acid
- 영어명
- 2,4-Dimethylaniline-6-sulfonic acid
- 분자식
- C8H11NO3S
- 분자량
- 201.24
이름 및 동의어
88-22-22-Amino-3,5-dimethylbenzenesulfonic acidBenzenesulfonic acid, 2-amino-3,5-dimethyl-2-Amino-3,5-xylenesulfonic acidC.I. 24855NSC 7548EINECS 201-811-4DTXSID20589623,5-Xylenesulfonic acid, 2-amino-RefChem:117832DTXCID20486103,5-Xylenesulfonic acid, 2-amino-(8CI)
이름 더 보기
m-Xylidenesulfonic acidM-XYLIDINE-2-SULFONIC ACID2,4-Dimethyl-6-sulfoaniline2,4-Xylidine-6-sulfonic acid2,4-xylidine-6-sulphonic acid4-DiMethylaniline-6-sulfonic acid2,4-Dimethylaniline-6-sulfonicaci
2,4-Dimethylaniline-6-sulfonic AcidMFCD000357702-amino-3,5-dimethyl-benzenesulfonic acidNSC-75482-Amino-3,5-xylenesulphonic acidNSC75482-amino-3,5-dimethylbenzene-1-sulfonic acidm-Xylidine-6-sulfonic Acid
데이터베이스 식별자
- CAS
88-22-2- PubChem CID
- 66608
- DTXSID
DTXSID2058962- UNII
- 63P9YT6N5W
- EC Number
- 201-811-4
- Nikkaji
- J28.709A
물성
구조 계산 물성
- XLogP
- 1.3
- 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
- 270
실험 및 물리화학적 성질
Physical DescriptionWet Solid
물리화학적 성질
- 녹는점
- 146 · 146-149°
- 밀도
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -1.28 · -1.28±0.50(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 3.049 g/L · 3.049g/L at 25℃
- LogP
- 0.814 at · 0.814 at 25℃
- EPA
- 2 · Benzenesulfonic acid, 2-amino-3,5-dimethyl- (88-22-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzenesulfonic acid, 2-amino-3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-3,5-dimethyl- 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: 11-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20239
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- UN3077
- HS 번호
- 2921.42.9000
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- 위험 등급
- 9
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenesulfonic acid, 2-amino-3,5-dimethyl-: ACTIVE
제조 방법
생산 방법Production is from 4-amino-1,3-dimethylbenzene (m-xylidine) and 96 % sulfuric acid by baking the sulfate paste in vacuo, subsequently purifying the product with boiling milk of lime, and finally precipitating the sodium salt with sodium chloride. 2-Amino-3,5-dimethylbenzenesulfonic acid can also be produced by sulfonation of m-xylidine in 1,1,2,2-tetrachloroethane with chlorosulfuric acid and subsequent boiling until no more hydrogen chloride is formed.
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