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디하이드로티오-p-톨루이딘설폰산

7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-

HCID 174223
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
130-17-6
표준 SMILES
Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O
InChIKey
KGZUHYIHYBDNLC-UHFFFAOYSA-N
분자식
C14H12N2O3S2
평균 분자량
320.4 g/mol
단동위원소 질량
320.0289346

개요

2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid is a brownish-yellow powder. (NTP, 1992)

이름 및 식별자

우선 이름
7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
IUPAC
2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
현지명
디하이드로티오-p-톨루이딘설폰산
영어명
2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
분자식
C14H12N2O3S2
분자량
320.39

이름 및 동의어

130-17-6Dehydrothio-p-toluidinesulfonic acidp-(6-Methyl-7-sulfobenzothiazole)aniline2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-2-(p-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acidDTXSID00245013ZPZ8EA7RKNSC 44566NSC 2033872-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid2-(p-Aminophenyl)-6-methylbenzothiazolyl-7-sulfonic acid
이름 더 보기
디하이드로티오-p-톨루이딘설폰산Dehydrothio-4-Toluidine sulfonic Acid3-MONOSULFONICACID2-(4-Aminophenyl)-6-methyl-1dehydrothio-p-aminotoluenesulfonate2-(4-aminophenyl)-6-methylbenzothiazDEHYDROTHIO-P-TOLUIDINE SULPHONIC ACIDDEHYDROTHIO-P-TOLUIDINE-3-SULFONIC ACIDDEHYDRO THIO PARA TOLUIDINE SULFONIC ACID
7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-EINECS 204-979-7NSC-203387BRN 03133902-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acidDTXCID804501EC 204-979-72-27-00-00492 (Beilstein Handbook Reference)

물성

구조 계산 물성

XLogP
2.5
극성 표면적
130 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
21
형식 전하
0
복잡도
471

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Pointgreater than 572 °F (NTP, 1992)
Physical Description · 2건

2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid is a brownish-yellow powder. (NTP, 1992)

Dry Powder; Other Solid

Collision Cross Section185.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0024501]

물리화학적 성질

녹는점
300 °C · 300 °C
밀도
1.3833 · 1.3833 (rough estimate)
굴절률
1.714 · 1.7140 (estimate)
저장 조건
2 · 2-8°C
물리적 상태
수정 같은
산도 계수 (pKa)
-0.28 · -0.28±0.40(Predicted)
수소이온지수(pH)
4.9 at · 4.9 at 20℃ and 14.9mg/L
수용성
22 · 22&C에서 <0.1g/100mL
EPA
2 · 2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid (130-17-6)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.7% (1 of 152) of reports.

Warning

H302 (25.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-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: 2-(4-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid (EC: 204-979-7)

DOT LabelPoison
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound may emit very toxic fumes of SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (25.7%)

안전 및 보호

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-: ACTIVE

응용 분야

일반 설명Brownish-yellow powder.

상·하류 제품 정보

상류 원료

발연황산유황p-톨루이딘황산

하류 제품

직접노랑27DIRECT YELLOW 127C.I. Acid Brown 84티아진레드DIRECT YELLOW 28disodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate티탄 옐로(타이타늄 옐로)

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
130-17-6
PubChem CID
174223
DTXSID
DTXSID0024501
ChEMBL
CHEMBL1339340
UNII
3ZPZ8EA7RK
EC Number
204-979-7
Nikkaji
J37.333H
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

tsca
TSCA listed
독성
LD50 ivn-mus: 178 mg/kg CSLNX* NX#00718
risk_code
20/21/22-36/37/38
hazard_code
Xn,C
safety_code
26-36/37/39
기존화학 물질
97-3-34
위험 참고 사항
Corrosive
DIRECT PURE YELLOW 5G
Acid Yellow 40:1
Direct Orange 18
Direct Red 45
DIRECT YELLOW 147
sodium 2-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
Direct Orange 17

공급사73 곳

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