4 B 산
2-Amino-5-methylbenzenesulfonic acid
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기본 정보
- CAS
88-44-8- 표준 SMILES
Cc1ccc(N)c(S(=O)(=O)O)c1- InChIKey
LTPSRQRIPCVMKQ-UHFFFAOYSA-N- 분자식
- C7H9NO3S
- 평균 분자량
- 187.22 g/mol
- 단동위원소 질량
- 187.03031415
이름 및 식별자
- 우선 이름
- 2-Amino-5-methylbenzenesulfonic acid
- IUPAC
- 2-amino-5-methylbenzenesulfonic acid
- 현지명
- 4 B 산
- 영어명
- 4-Aminotoluene-3-sulfonic acid
- 분자식
- C7H9NO3S
- 분자량
- 187.22
이름 및 동의어
88-44-82-Amino-5-methylbenzenesulfonic acid4-Aminotoluene-3-sulfonic acidPtmsptmsaP-TOLUIDINE-M-SULFONIC ACIDPTMSABenzenesulfonic acid, 2-amino-5-methyl-p-Toluidine-2-sulfonic Acid6-Amino-m-toluenesulfonic acidRed 4B acidm-Toluenesulfonic acid, 6-amino-4-Aminotoluene-3-sulphonic acid
이름 더 보기
2-아미노-5-메틸벤젠설폰산2-아미노-5-메틸벤젠술폰산4B산p-톨루이딘4-아미노톨루엔-3-설폰산2-아미노-5-메틸벤젠설폰산(2-AMINO-5-METHYLBENZENESULFONICACID)4B 산성4-톨루딘-3-설폰산6-아미노-M-톨루엔설폰산6-아미노-메타-톨루엔설폰산M-톨루엔설폰산, 6-아미노-P-톨루딘-M-설폰산레드 4B 산성메타-톨루엔설폰산, 6-아미노-벤젠설폰산, 2-아미노-5-메틸-파라-톨루딘-메타-설폰산PTMS4B ACIDred4bacidCID1212310004B Acid, Puretoluidine-sulfonicacid5-Methylorthanilic acidM-TOLUENE SULPHONIC ACID
4-Methylaniline-2-sulfonic acidKyselina 4-toluidin-3-sulfonovaNSC 75446-Amino-m-toluenesulfonic acid (SO3H=1)CCRIS 2772DTXSID7026526EINECS 201-831-36-Amino-meta-toluenesulfonic acid (SO3H=1)
데이터베이스 식별자
- CAS
88-44-8- PubChem CID
- 6934
- DTXSID
DTXSID7026526- ChEMBL
CHEMBL2143677- UNII
- FF86IBK68Z
- EC Number
- 201-831-3
- Nikkaji
- J9.671G
물성
구조 계산 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 88.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 244
실험 및 물리화학적 성질
Physical DescriptionCBI; Dry Powder
Collision Cross Section137.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7026526]
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 끓는 점
- 500 °C · 500°C (rough estimate)
- 밀도
- 1.431 · 1.431
- 굴절률
- 1.61 · 1.6100 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 20 °C에서 · 물: 20°C에서 용해성6g/L
- 산도 계수 (pKa)
- -1.35 · -1.35±0.42(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light red to Green
- 수용성
- 32 g/L · 32g/L(19ºC)
- BRN
- 2211509 · 2211509
- InChI
- 1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- InChIKey
- LTPSRQRIPCVMKQ-UHFFFAOYSA-N
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 67.1% (110 of 164) of all reports.
Danger
H314 (26.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, 2-amino-5-methyl-
Benzenesulfonic acid, 2-amino-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-5-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)
Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13513
Hazard Classes and CategoriesSkin Corr. 1B (26.2%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XT6320000
- ridadr
- UN 2585 8/PG 3
- HS 번호
- 29214300
- risk_code
- 45-34-36
- hazard_code
- T,C,Xi
- safety_code
- 53-26-27-28-36/37/39-45-28A
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenesulfonic acid, 2-amino-5-methyl-: ACTIVE
응용 분야
개요4-Aminotoluene-3-sulfonic acid is produced by baking p-toluidine sulfate at 180 ℃ and 97 – 101 mbar, dissolving the product in 3 % sodium hydroxide solution, and precipitating the free acid by adding concentrated hydrochloric acid.
용도4-Aminotoluene-3-sulfonic acid was used to investigate the enrichment of aminobenzoic acids and aminotoluenesulfonic acids using graphitized carbon black (GCB) by solid-phase extraction. It was also used in the synthesis of azobenzene derivatives.
일반 설명4-Aminotoluene-3-sulfonic acid acts as Schiff base ligand and forms binary and ternary complexes with Co(II), Ni(II), Cu(II) and Zn(II) ions.
상·하류 제품 정보
상류 원료
하류 제품
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