CAS 90607-21-9 5-tert-Butyl-1,2-oxazole-3-carboxylic acid (HCID 17389664)

기본 정보

CAS: 90607-21-9
표준 SMILES: CC(C)(C)c1cc(C(=O)O)no1
InChIKey: GBFOGDDBEDQGJW-UHFFFAOYSA-N
분자식: C8H11NO3
평균 분자량: 169.18 g/mol
단동위원소 질량: 169.07389321

이름 및 식별자

우선 이름: 5-tert-Butyl-1,2-oxazole-3-carboxylic acid
IUPAC: 5-tert-butyl-1,2-oxazole-3-carboxylic acid
현지명: 3-이속사졸카르복실산,5-(1,1-디메틸에틸)-(9CI)
영어명: 3-Isoxazolecarboxylicacid,5-(1,1-dimethylethyl)-(9CI)
분자식: C8H11NO3
분자량: 169.18

이름 및 동의어

90607-21-95-tert-butyl-1,2-oxazole-3-carboxylic acidDTXSID00589587RefChem:304897DTXCID60540351822-309-75-(tert-butyl)isoxazole-3-carboxylic acid5-tert-butylisoxazole-3-carboxylic acid5-tert-butyl-3-isoxazolecarboxylic acid5-TERT-BUTYL-ISOXAZOLE-3-CARBOXYLIC ACIDMFCD073773013-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-

이름 더 보기

3-이속사졸카르복실산,5-(1,1-디메틸에틸)-(9CI)3-Isoxazolecarboxylicacid,5-(1,1-diMethylethyl)

3-Isoxazolecarboxylicacid,5-(1,1-dimethylethyl)-(9CI)5-T-Butyl-Isoxazole-3-Carboxylic Acid5-T-Butyl-Isoxazole-3-CarSCHEMBL1809204ALBB-019168BBL021334SBB076516STK894045

데이터베이스 식별자

CAS: 90607-21-9
PubChem CID: 17389664
DTXSID: DTXSID00589587
EC Number: 822-309-7
Nikkaji: J24.398A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

끓는 점: 303.5 · 303.5±30.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): 3.49 · 3.49±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2934999090
위험 등급: IRRITANT

화학 및 산업

공급사62 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

화합물 노트

불러오는 중…