4-이속사졸술폰아미드,3,5-디메틸-(9CI)

3,5-Dimethylisoxazole-4-sulfonamide

HCID 4962303

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175136-83-1
표준 SMILES: Cc1noc(C)c1S(N)(=O)=O
InChIKey: GXRGFHCFXQFLBX-UHFFFAOYSA-N
분자식: C5H8N2O3S
평균 분자량: 176.2 g/mol
단동위원소 질량: 176.0255633

이름 및 식별자

우선 이름: 3,5-Dimethylisoxazole-4-sulfonamide
IUPAC: 3,5-dimethyl-1,2-oxazole-4-sulfonamide
현지명: 4-이속사졸술폰아미드,3,5-디메틸-(9CI)
영어명: 4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)
분자식: C5H8N2O3S
분자량: 176.19

이름 및 동의어

3,5-dimethylisoxazole-4-sulfonamide175136-83-1dimethyl-1,2-oxazole-4-sulfonamideDTXSID40407059RefChem:487040DTXCID10357911858-904-33,5-dimethyl-1,2-oxazole-4-sulfonamideMFCD001045773,5-dimethyl-4-isoxazolesulfonamideOprea1_552734SCHEMBL51166

이름 더 보기

4-이속사졸술폰아미드,3,5-디메틸-(9CI)4-Isoxazolesulfonamide, 3,5-dimethyl-4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)

SCHEMBL1323519GXRGFHCFXQFLBX-UHFFFAOYSA-NHMS1719K04AHA13683SBB0891693,5-dimethylisoxazol-4-ylsulfonamide3,5-Dimethyl-isoxazole-4-sulfonamide3,5-dimethylisoxazol-4-ylsulphonamide

데이터베이스 식별자

CAS: 175136-83-1
PubChem CID: 4962303
DTXSID: DTXSID40407059
EC Number: 858-904-3

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 94.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 233

물리화학적 성질

끓는 점: 380.7 · 380.7±52.0 °C(Predicted)
밀도: 1.387 · 1.387±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.41 · 9.41±0.60(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.