N-(3-ホルミルフェニル)メタンスルホンアミド

N-(3-formylphenyl)methanesulfonamide

HCID 2794787

基本情報

CAS
55512-05-5
標準SMILES
CS(=O)(=O)Nc1cccc(C=O)c1
InChIKey
CBDSSTWZEANOCR-UHFFFAOYSA-N
分子式
C8H9NO3S
平均分子量
199.23 g/mol
単同位体質量
199.03031432

名称と識別子

優先名称
N-(3-formylphenyl)methanesulfonamide
IUPAC
N-(3-formylphenyl)methanesulfonamide
現地名
N-(3-ホルミルフェニル)メタンスルホンアミド
英語名
N-(3-FORMYLPHENYL)METHANESULFONAMIDE
分子式
C8H9NO3S
分子量
199.23

名称と別名

N-(3-formylphenyl)methanesulfonamide55512-05-5DTXSID10383412RefChem:361381DTXCID80334436689-406-23-(Methylsulfonamido)benzaldehydeMFCD03198179N-(3-Formylphenyl)methanesulphonamideMethanesulfonamide, N-(3-formylphenyl)-3-[(methylsulfonyl)amino]benzaldehydeZINC04282446
名称をさらに表示
N-(3-ホルミルフェニル)メタンスルホンアミドN‐(3‐ホルミルフェニル)メタンスルホンアミドN-(3-methanoylphenyl)methanesulfonamideN-(3-Formylphenyl)methanesulphonamide 97%3-[(Methylsulphonyl)amino]benzaldehyde, 3-(Methylsulphonamido)benzaldehyde
N-(3-Formylphenyl)SCHEMBL243260SCHEMBL3052046A3054/0128987CBDSSTWZEANOCR-UHFFFAOYSA-NALBB-025099BBL002157SBB052155

データベース識別子

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

物性

構造計算による物性

XLogP
0.6
極性表面積
71.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
3
重原子数
13

物理化学的性質

融点
146 °C · 146 °C
沸点
348.6 · 348.6±44.0 °C(Predicted)
比重(密度)
1.407 · 1.407±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C, stored under nitrogen
外見
powder
酸解離定数(Pka)
7.59 · 7.59±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

hs_code
2935909099
risk_code
22
hazard_code
Xi,Xn
hazard_note
Irritant

化学と産業

サプライヤー37 社

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]

関連反応

5 件

化合物ノート

読み込み中…