1,3-티아졸-2-일메탄올

1,3-Thiazol-2-ylmethanol

HCID 2795213

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14542-12-2
표준 SMILES: OCc1nccs1
InChIKey: JNHDLNXNYPLBMJ-UHFFFAOYSA-N
분자식: C4H5NOS
평균 분자량: 115.16 g/mol
단동위원소 질량: 115.00918478

이름 및 식별자

우선 이름: 1,3-Thiazol-2-ylmethanol
IUPAC: 1,3-thiazol-2-ylmethanol
현지명: 1,3-티아졸-2-일메탄올
영어명: 1,3-Thiazol-2-ylmethanol
분자식: C4H5NOS
분자량: 115.15

이름 및 동의어

1,3-Thiazol-2-ylmethanol14542-12-2DTXSID80383585RefChem:219762DTXCID90334609696-096-2thiazol-2-ylmethanol2-ThiazolemethanolThiazol-2-yl-methanol2-Hydroxymethylthiazole2-(Hydroxymethyl)thiazole(1,3-Thiazol-2-yl)methanol

이름 더 보기

1,3-티아졸-2-일메탄올)-1,3-thiazoLRARECHEM AL BD 0750Thiazole-2-Methanol2-(Hydroxylmethyl)thiazole2-(Hydroxymethyl)thiazole >2-(Hydroxymethyl)-1,3-thiazole

(thiazol-2-yl)methanolMFCD062008552-(Hydroxymethyl)-1,3-thiazoleSCHEMBL167744GEO-02297AB89861PS-3716H1476

데이터베이스 식별자

CAS: 14542-12-2
PubChem CID: 2795213
DTXSID: DTXSID80383585
EC Number: 696-096-2
Nikkaji: J687.521A

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 59.7

물리화학적 성질

녹는점: 62 · 62-64.5
끓는 점: 76 °C/0.2mmHg · 76°C/0.2mmHg(lit.)
밀도: 1.339 · 1.339±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 12.87 · 12.87±0.10(Predicted)
색상: White to Orange to Green

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2934100090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-26-36/37/39
위험 참고 사항: Harmful

화학 및 산업

응용 분야

용도1,3-Thiazol-2-ylmethanol is a reagent used in the synthesis of quinazoline analogs which is an anti-proliferative activities and EGFR inhibitory potency.