2-아미노-4-(P-톨릴)티아졸

4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine

HCID 244066

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2103-91-5
표준 SMILES: Cc1ccc(-c2csc(N)n2)cc1
InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N
분자식: C10H10N2S
평균 분자량: 190.27 g/mol
단동위원소 질량: 190.0564695

이름 및 식별자

우선 이름: 4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
IUPAC: 4-(4-methylphenyl)-1,3-thiazol-2-amine
현지명: 2-아미노-4-(P-톨릴)티아졸
영어명: 2-Amino-4-(p-tolyl)thiazole
분자식: C10H10N2S
분자량: 190.27

이름 및 동의어

DTXSID609433284-(4-methylphenyl)-1,3-thiazol-2(3H)-imineRefChem:1069977DTXCID2013716982103-91-54-(4-methylphenyl)-1,3-thiazol-2-amine4-(p-tolyl)thiazol-2-amine2-Amino-4-(p-tolyl)thiazole4-p-Tolyl-thiazol-2-ylamine2-thiazolamine, 4-(4-methylphenyl)-MFCD001702644-p-tolylthiazol-2-amine

이름 더 보기

2-아미노-4-(P-톨릴)티아졸AURORA 5316AKOS BC-1557TOSLAB 14874AKOS B000327AKOS BBS-00000483BUTTPARK 41\03-45IFLAB-BB F0777-0809

4-(4-Methylphenyl)-2-thiazolamine4-p-Tolylthiazol-2-ylamine4-(4-methylphenyl)-1,3-thiazole-2-ylamineNSC54436NSC 544364-(p-Tolyl)-2-thiazolamineMLS0026676872-AMINO-4-(4-METHYLPHENYL)THIAZOLE

데이터베이스 식별자

CAS: 2103-91-5
PubChem CID: 244066
DTXSID: DTXSID60943328
ChEMBL: CHEMBL1716073
EC Number: 626-896-9
Nikkaji: J580.611I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 132 · 132-136 °C (lit.)
끓는 점: 369.4 · 369.4±11.0 °C(Predicted)
밀도: 1.219 · 1.219±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.51 · 4.51±0.10(Predicted)
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
BRN: 143563 · 143563
InChI: 1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)-c2csc(N)n2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 2934.10.2000
risk_code: 20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids