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2-아미노-5,6-디메틸벤조티아졸

2-Amino-5,6-dimethylbenzothiazole

HCID 34757
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
29927-08-0
표준 SMILES
Cc1cc2nc(N)sc2cc1C
InChIKey
IODWHFFPQHUDAG-UHFFFAOYSA-N
분자식
C9H10N2S
평균 분자량
178.26 g/mol
단동위원소 질량
178.0564695

개요

2-amino-5,6-dimethylbenzothiazole is an off-white crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름
2-Amino-5,6-dimethylbenzothiazole
IUPAC
5,6-dimethyl-1,3-benzothiazol-2-amine
현지명
2-아미노-5,6-디메틸벤조티아졸
영어명
2-Amino-5,6-dimethylbenzothiazole
분자식
C9H10N2S
분자량
178.25

이름 및 동의어

29927-08-02-AMINO-5,6-DIMETHYLBENZOTHIAZOLE5,6-dimethyl-2-benzothiazolamine5,6-Dimethyl-2-aminobenzothiazoleDTXSID00244785,6-Dimethylbenzothiazol-2-ylamineEINECS 249-960-46YBU8Z59YSNSC-140729Benzothiazole, 2-amino-5,6-dimethyl-DTXCID504478NSC 140729
이름 더 보기
2-아미노-5,6-디메틸벤조티아졸AKOS B014634TIMTEC-BB SBB003762ART-CHEM-BB B014634LABOTEST-BB LT000807185,6-Dimethylbenzothiazol-2-amine
AMINO-5,6-DIMETHYLBENZOTHIAZOLE, 2-RefChem:4644235,6-Dimethylbenzo[d]thiazol-2-amine5,6-Dimethyl-1,3-benzothiazol-2-amine2-Amino-5,6-dimethyl-1,3-benzothiazol2-Benzothiazolamine, 5,6-dimethyl-MFCD000057905,6-dimethylbenzothiazole-2-ylamine

데이터베이스 식별자

CAS
29927-08-0
PubChem CID
34757
DTXSID
DTXSID0024478
ChEMBL
CHEMBL1499536

물성

구조 계산 물성

XLogP
2.8
극성 표면적
67.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12
형식 전하
0
복잡도
174

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point365 to 372 °F (NTP, 1992)
Physical Description2-amino-5,6-dimethylbenzothiazole is an off-white crystalline solid. (NTP, 1992)

물리화학적 성질

녹는점
185 · 185-189 °C(lit.)
끓는 점
342.1 · 342.1±45.0 °C(Predicted)
밀도
1.1355 · 1.1355 (rough estimate)
굴절률
1.53 · 1.5300 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
DMSO(적게), 메탄올(약간)에 용해됨
산도 계수 (pKa)
4.79 · 4.79±0.10(Predicted)
물리적 상태
고체
색상
황백색에서 노란색까지
EPA
2 · 2-Amino-5,6-dimethylbenzothiazole (29927-08-0)

화학적 성질

white to yellow or beige crystalline powder

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition, this compound may emit toxic fumes of NOx and SOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.

화학 및 산업

응용 분야

일반 설명Off-white crystalline solid.

상·하류 제품 정보

상류 원료

싸이오사이안산암모늄(로단암몬)클로로벤젠3,4-자일리딘

하류 제품

Benzenethiol, 2-amino-4,5-dimethyl-2-CHLORO-N-(5,6-DIMETHYL-BENZOTHIAZOL-2-YL)-아세트아미드

공급사76 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司

관련 반응

6건
반응 기록 만들기
HRID 121296 반응식
HRID 121296반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 128274 반응식
HRID 128274반응물로uspto-grants-1981_03
HRID 669014 반응식
HRID 669014반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 944333 반응식
HRID 944333반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1087463 반응식
HRID 1087463반응물로uspto-grants-1991_07
HRID 1578513 반응식
HRID 1578513반응물로uspto-grants-1976_02

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
UNII
6YBU8Z59YS
EC Number
249-960-4
Nikkaji
J124.127C
Hazard Classes and Categories
Skin Irrit. 2 (100%)

안전 및 보호

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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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.

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

wgk
3
HS 번호
29341000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
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