3-(Chlorosulfonyl)-4-(propan-2-yl)benzoic acid

HCID 309510CAS 59815-29-1

基本情報

標準SMILES: CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Cl
InChIKey: KSRCCOHUNHPILB-UHFFFAOYSA-N
分子式: C10H11ClO4S
平均分子量: 262.71 g/mol
単同位体質量: 262.0066577

名称と識別子

優先名称: 3-(Chlorosulfonyl)-4-(propan-2-yl)benzoic acid
IUPAC: 3-chlorosulfonyl-4-propan-2-ylbenzoic acid
英語名: 3-Chlorosulfonyl-4-isopropylbenzoicacid
分子式: C10H11ClO4S
分子量: 262.71

名称と別名

3-(chlorosulfonyl)-4-(propan-2-yl)benzoic acidRefChem:494707672-351-359815-29-13-Chlorosulfonyl-4-isopropyl-benzoic acid3-(chlorosulfonyl)-4-isopropylbenzoic acid3-chlorosulfonyl-4-propan-2-ylbenzoic acid3-Chlorosulfonyl-4-isopropylbenzoicacidMFCD034263823-Chlorosulfonyl-4-isopropyl-benzoicacidNSC211802SCHEMBL3971731

名称をさらに表示

(3-Chlorosulfonyl-4-isopropylbenzoicacid0Benzoic acid, 3-(chlorosulfonyl)-4-(1-methylethyl)-

SCHEMBL31587739DTXSID50309333KSRCCOHUNHPILB-UHFFFAOYSA-NAKOS000127896NSC-2118023-Chlorosulfonyl-4iso-propylbenzoic acid3-(chlorosulfonyl)-4-isopropylbenzoicacid3-Chlorosulfonyl-4-iso-propylbenzoic acid

データベース識別子

CAS: 59815-29-1
PubChem CID: 309510
DTXSID: DTXSID50309333
EC Number: 672-351-3

物性

構造計算による物性

XLogP: 2.6
極性表面積: 79.8 Å²
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: 16
形式電荷: 0
複雑度: 358

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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 (50%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (100%)

安全データ

注意喚起語: 危険
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H314

化学と産業

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