2-Amino-5-methylbenzenesulfonic acid (HCID 6934)

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 물성

XLogP: 0.9
극성 표면적: 88.8 Å²
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 Å² [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
SMILES: Cc1ccc(N)c(c1)S(O)(=O)=O
LogP: -0.67 at · -0.67 at 25℃
EPA: 4 · 4-Aminotoluene-3-sulfonic acid (88-44-8)

화학적 성질

BEIGE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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: KE-01450
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

Benzenesulfonic acid, 2-amino-5-methyl-: ACTIVE

응용 분야 · 3건

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.