홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

2-아미노티아졸

2-Aminothiazole

HCID 2155
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
96-50-4
표준 SMILES
Nc1nccs1
InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
분자식
C3H4N2S
평균 분자량
100.14 g/mol
단동위원소 질량
100.00951931

개요

2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)

이름 및 식별자

우선 이름
2-Aminothiazole
IUPAC
1,3-thiazol-2-amine
현지명
2-아미노티아졸
영어명
2-Aminothiazole
분자식
C3H4N2S
분자량
100.14

이름 및 동의어

2-AMINOTHIAZOLEaminothiazole96-50-42-ThiazolamineAbadole2-ThiazolylamineBasedolAbadol2-ThiazylamineAminothiazolAminotiazol4-Thiazolin-2-onimine
이름 더 보기
2-아미노티아졸1,3-Thiazol-2-amine2-Amino-1,3-thiazolecp1585
AminothiazolumThiazole, 2-amino-AminotiazoloUSAF EK-P-5501RP 2921DTXSID5024508NSC-19005K8WKN668K

데이터베이스 식별자

CAS
96-50-4
PubChem CID
2155
DTXSID
DTXSID5024508
ChEMBL
CHEMBL344760
ChEBI
CHEBI:40782
UNII
5K8WKN668K
EC Number
202-511-6
Nikkaji
J3.972A

물성

구조 계산 물성

XLogP
0.4
극성 표면적
67.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
6
형식 전하
0
복잡도
48.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
LogP0.38
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point194 °F (NTP, 1992)
Physical Description2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
Collision Cross Section · 2건

117.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

141.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Autoignition Temperature212 °F after 3.5 hours (NTP, 1992)

물리화학적 성질

녹는점
91 · 91-93 °C (lit.)
끓는 점
117 °C · 117 °C (15.002 mmHg)
밀도

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Thiazolamine

REACH registered substance: Aminothiazole (EC: 202-511-6)

2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include nausea, headache and weakness. It may also cause irritation.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile2-AMINOTHIAZOLE reacts violently when nitrated with nitric or nitric-sulfuric acids. It is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

화학 및 산업

용도 및 제조

General Manufacturing Information2-Thiazolamine: ACTIVE

응용 분야

용도2-Aminothiazole is a heterocyclic amine and is the beginning reagent for the synthesis of many pharmaceutical and agricultural related compounds.

일반 설명Light brown crystals or brown granular solid.

상·하류 제품 정보

상류 원료

모노클로로아세트알데히드티오요소

하류 제품

2-클로로-5-니트로티아졸에틸2-(2-아미노티아졸-5-일티오)아세테이트2-아미노-((1-카르복시-1-메틸에톡시)이미노)-4-티아졸아세트산Cationic Violet 3BL3-(-하이드록시페네틸)-2-이미노티아졸리딘BASIC RED 291,3-Thiazole-2-carbaldehyde2-아미노-5-니트로티아졸

관련 반응

1,965건
반응 기록 만들기
HRID 5149 반응식
HRID 5149촉매로반응물로uspto-grants-1993_09
HRID 7510 반응식
HRID 7510반응물로uspto-grants-2006_08
HRID 7528 반응식
HRID 7528반응물로uspto-grants-2006_08
HRID 14989 반응식
HRID 14989반응물로uspto-grants-2010_06
HRID 20487 반응식
HRID 20487반응물로uspto-grants-2010_06
HRID 20600 반응식
HRID 20600반응물로uspto-grants-2010_06
HRID 20602 반응식
HRID 20602반응물로uspto-grants-2010_06
HRID 26885 반응식
HRID 26885반응물로uspto-grants-1979_04
1 / 246 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
1.241 · 1.241 (estimate)
증기압
1 hPa · <1 hPa (20 °C)
굴절률
1.53 · 1.5300 (estimate)
인화점
117 °C/15mm · 117°C/15mm
저장 조건
30 °C · Store below +30°C.
용해도
1 M · 1 M HCl: 용해성50mg/mL, 투명(짙은 황갈색)
산도 계수 (pKa)
5.36 · 5.36(at 20℃)
물리적 상태
결정성 분말, 곡물, 덩어리 또는 플레이크
색상
갈색
수소이온지수(pH)
9.6 · 9.6 (100g/l, H2O, 20℃)
수용성
100 g/L · 100g/L(20℃)
Merck
14 · 14,479
BRN
105738 · 105738
InChI
1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
SMILES
[s]1[c]([nH]cc1)=N
LogP
0.38 · 0.380
NIST
2 · 2-Aminothiazole(96-50-4)
EPA
2 · 2-Aminothiazole (96-50-4)

화학적 성질

brown crystalline powder, grains, lumps or flakes

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
tsca
TSCA listed
rtecs
XJ2100000
독성
LD50 orally in Rabbit: 480 mg/kg
HS 번호
29341000
risk_code
22-36-36/37-20/21/22
hazard_code
Xn,Xi
safety_code
26-36/37-39-36
기존화학 물질
KE-33745
F 고인화성물질
8-9
위험 참고 사항
Irritant
자연 발화 온도
600 °C
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
2-아미노-5-브로모티아졸
2-아미노-5-브로모티아졸모노하이드로브로마이드
이미다조[2,1-b][1,3]티아졸-6-카르복실산
Nitazoxanide불순물
옥사졸-2-아민
CHEMBRDG-BB 4024592
4,5,6,7-tetrachloro-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
2,2,2-trichloro-N-1,3-thiazol-2-ylacetamide
2-Pyridinamine, N-(5-bromo-2-thiazolyl)-
1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-thiazolyl)-

추가 설명

정의ChEBI: A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.