기본 정보
- CAS
38585-74-9- 표준 SMILES
OCc1cncs1- InChIKey
WKBQQWDVVHGWDB-UHFFFAOYSA-N- 분자식
- C4H5NOS
- 평균 분자량
- 115.16 g/mol
- 단동위원소 질량
- 115.00918478
이름 및 식별자
- 우선 이름
- 5-Thiazolylmethanol
- IUPAC
- 1,3-thiazol-5-ylmethanol
- 영어명
- 5-Hydroxymethylthiazole
- 분자식
- C4H5NOS
- 분자량
- 115.15
이름 및 동의어
38585-74-95-Thiazolemethanol5-(Hydroxymethyl)thiazole5-thiazolylmethanol5-(hydroxymethyl)-1,3-thiazole73J5JZ943WEC 414-780-9RefChem:537976414-780-9609-565-35-HydroxymethylthiazoleThiazol-5-ylmethanol
이름 더 보기
5-ylmethanol5-HydroxythiazoleCHEMBRDG-BB 40503545-THIAZOLE METHANOLRARECHEM AL BD 1261Ritonavir Impurity 17
1,3-thiazol-5-ylmethanolThiazole-5-methanolthiazol-5-yl-methanol(1,3-thiazol-5-yl)methanol(thiazol-5-yl)methanolMFCD041157325-hydroxymethyl thiazole5-Thiazolemethanol; (1,3-Thiazol-5-yl)methanol; 5-(Hydroxymethyl)-1,3-thiazole; 5-(Hydroxymethyl)thiazole; Thiazol-5-ylmethanol
데이터베이스 식별자
- CAS
38585-74-9- PubChem CID
- 2763216
- DTXSID
DTXSID40376817- UNII
- 73J5JZ943W
- EC Number
- 414-780-9、609-565-3
- Nikkaji
- J674.655A
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 61.4 Ų
- 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
- 끓는 점
- 95 · 95-96°C 0,02mm
- 밀도
- 1.32 · 1.32
- 증기압
- 1.9 Pa · 1.9Pa at 25℃
- 굴절률
- 1.567 to · 1.5670 to 1.5710
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 13.61 · 13.61±0.10(Predicted)
- 색상
- 옅은 노랑
- InChI
- 1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
- InChIKey
- WKBQQWDVVHGWDB-UHFFFAOYSA-N
- SMILES
- OCc1cncs1
- LogP
- -0.17 at · -0.17 at 22℃
- 표면장력
- 57.8 mN/m · 57.8mN/m at 1.1g/L and 20℃
화학적 성질
Pale-Yellow Oil
안전 및 규제
GHS 분류
GHS Classification
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Danger
H318 (96.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationStatus: Active Update: 14-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8707
Hazard Classes and Categories
Eye Dam. 1 (96.4%)
Eye Dam. 1 (100%)
Eye damage - category 1
Eye Dam. 1
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29349990
- risk_code
- 36/37/38-52/53-41-40
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-61-39-36-22
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-Thiazolemethanol (cas# 38585-74-9) is a compound useful in organic synthesis.
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