CAS 95453-54-6 2,4-Dimethyl-1,3-thiazole-5-carbaldehyde (HCID 2776249)

기본 정보

CAS: 95453-54-6
표준 SMILES: Cc1nc(C)c(C=O)s1
InChIKey: XAHWXDLKIYXDCK-UHFFFAOYSA-N
분자식: C6H7NOS
평균 분자량: 141.19 g/mol
단동위원소 질량: 141.02483502

이름 및 식별자

우선 이름: 2,4-Dimethyl-1,3-thiazole-5-carbaldehyde
IUPAC: 2,4-dimethyl-1,3-thiazole-5-carbaldehyde
현지명: 2,4-디메틸-1,3-티아졸-5-카르발데하이드
영어명: 2,4-DIMETHYL-1,3-THIAZOLE-5-CARBALDEHYDE
분자식: C6H7NOS
분자량: 141.19

이름 및 동의어

2,4-dimethyl-1,3-thiazole-5-carbaldehydeRefChem:443717626-115-195453-54-62,4-dimethylthiazole-5-carbaldehyde2,4-Dimethylthiazole-5-carboxaldehyde5-Thiazolecarboxaldehyde, 2,4-dimethyl-2,4-DIMETHYL-1,3-THIAZOLE-5-CARBOXALDEHYDEMFCD034073202,4-Dimethyl-5-formyl-1,3-thiazoleiflab-bb f2124-02205-thiazolecarboxaldehyde, 2,4-dimethyl- (9ci)

이름 더 보기

2,4-디메틸-1,3-티아졸-5-카르발데하이드2,4-Dimethylthiazol-5-carbaldehyde2,4-dimethylthaizole-5-carbaldehyde

5-thiazolecarboxaldehyde,2,4-dimethyl-SCHEMBL454739SCHEMBL1042202DTXSID20379922XAHWXDLKIYXDCK-UHFFFAOYSA-NSBB0862012,4-dimethylthiazol-5-carboxaldehydeAKOS007930894

데이터베이스 식별자

CAS: 95453-54-6
PubChem CID: 2776249
DTXSID: DTXSID20379922
EC Number: 626-115-1

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 23 · 23-27 °C(lit.)
끓는 점: 64 °C · 64 °C
밀도: 1.213 · 1.213±0.06 g/cm3(Predicted)
인화점: 210 °F · 210 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.25 · 2.25±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 41 reports by companies from 4 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 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2934100090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

용도2,4-Dimethylthiazole-5-carboxaldehyde is used to synthesize tetrasubstituted ethylenediamine-based derivs. as potent anticancer hFTase inhibitors. It is also used to prepare piperazinyl benzimidazoles as antagonists of gonadotropin-releasing hormone receptor.