N-(3-포르밀페닐)메탄설폰아미드

N-(3-formylphenyl)methanesulfonamide

HCID 2794787

기본 정보

CAS
55512-05-5
표준 SMILES
CS(=O)(=O)Nc1cccc(C=O)c1
InChIKey
CBDSSTWZEANOCR-UHFFFAOYSA-N
분자식
C8H9NO3S
평균 분자량
199.23 g/mol
단동위원소 질량
199.03031432

이름 및 식별자

우선 이름
N-(3-formylphenyl)methanesulfonamide
IUPAC
N-(3-formylphenyl)methanesulfonamide
현지명
N-(3-포르밀페닐)메탄설폰아미드
영어명
N-(3-FORMYLPHENYL)METHANESULFONAMIDE
분자식
C8H9NO3S
분자량
199.23

이름 및 동의어

N-(3-formylphenyl)methanesulfonamide55512-05-5DTXSID10383412RefChem:361381DTXCID80334436689-406-23-(Methylsulfonamido)benzaldehydeMFCD03198179N-(3-Formylphenyl)methanesulphonamideMethanesulfonamide, N-(3-formylphenyl)-3-[(methylsulfonyl)amino]benzaldehydeZINC04282446
이름 더 보기
N-(3-포르밀페닐)메탄설폰아미드N-(3-methanoylphenyl)methanesulfonamideN-(3-Formylphenyl)methanesulphonamide 97%3-[(Methylsulphonyl)amino]benzaldehyde, 3-(Methylsulphonamido)benzaldehyde
N-(3-Formylphenyl)SCHEMBL243260SCHEMBL3052046A3054/0128987CBDSSTWZEANOCR-UHFFFAOYSA-NALBB-025099BBL002157SBB052155

데이터베이스 식별자

CAS
55512-05-5
PubChem CID
2794787
DTXSID
DTXSID10383412
EC Number
689-406-2
Nikkaji
J2.401.682J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
71.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
13

물리화학적 성질

녹는점
146 °C · 146 °C
끓는 점
348.6 · 348.6±44.0 °C(Predicted)
밀도
1.407 · 1.407±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C, stored under nitrogen
물리적 상태
가루
산도 계수 (pKa)
7.59 · 7.59±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);Acute Tox. 4 (50%);Resp. Sens. 1 (50%);STOT SE 3 (50%)

안전 데이터

HS 번호
2935909099
risk_code
22
hazard_code
Xi,Xn
위험 참고 사항
Irritant

화학 및 산업

공급사37 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

관련 반응

5건

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