CAS 13838-78-3 5-Methyl-1,3-thiazole-2-carbaldehyde (HCID 13968795)

기본 정보

CAS: 13838-78-3
표준 SMILES: Cc1cnc(C=O)s1
InChIKey: UUIAJFQYWAFZEO-UHFFFAOYSA-N
분자식: C5H5NOS
평균 분자량: 127.17 g/mol
단동위원소 질량: 127.00918496

이름 및 식별자

우선 이름: 5-Methyl-1,3-thiazole-2-carbaldehyde
IUPAC: 5-methyl-1,3-thiazole-2-carbaldehyde
현지명: 5-메틸-1,3-티아졸-2-카르복스알데히드
영어명: 5-Methyl-1,3-thiazole-2-carboxaldehyde
분자식: C5H5NOS
분자량: 127.16

이름 및 동의어

13838-78-35-methyl-1,3-thiazole-2-carbaldehydeDTXSID30553458RefChem:303912DTXCID10504241830-934-15-Methylthiazole-2-carbaldehyde2-THIAZOLECARBOXALDEHYDE, 5-METHYL-5-Methyl-1,3-thiazole-2-carboxaldehydeMFCD080607335-Methyl-thiazole-2-carbaldehydeCS-W003454

이름 더 보기

5-메틸-1,3-티아졸-2-카르복스알데히드Methylthiazole-2-Formyl-5-methyl-1,3-thiazole5-Methylthiazole-2-carboxaldehyde

AC-27892AS-18106Z10376065185-METHYL-2-THIAZOLECARBOXALDEHYDEBCP101072-THIAZOLEBB 0262068FT-0683976

데이터베이스 식별자

CAS: 13838-78-3
PubChem CID: 13968795
DTXSID: DTXSID30553458
EC Number: 830-934-1
Nikkaji: J2.744.990E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 96

물리화학적 성질

끓는 점: 236 ℃ · 236.0℃
밀도: 1.27 · 1.270
인화점: 96.5 ℃ · 96.5℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): 0.92 · 0.92±0.10(Predicted)
InChI: 1S/C5H5NOS/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChIKey: UUIAJFQYWAFZEO-UHFFFAOYSA-N
SMILES: Cc1cnc(C=O)s1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.；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.