3-フルオロ-5-ヒドロキシ安息香酸メチル

Methyl 3-fluoro-5-hydroxybenzoate

HCID 46311142

基本情報

CAS
1072004-32-0
標準SMILES
COC(=O)c1cc(O)cc(F)c1
InChIKey
DIIVOKPOASIMNV-UHFFFAOYSA-N
分子式
C8H7FO3
平均分子量
170.14 g/mol
単同位体質量
170.03792224

名称と識別子

優先名称
Methyl 3-fluoro-5-hydroxybenzoate
IUPAC
methyl 3-fluoro-5-hydroxybenzoate
現地名
3-フルオロ-5-ヒドロキシ安息香酸メチル
英語名
Methyl 3-fluoro-5-hydroxybenzoate
分子式
C8H7FO3
分子量
170.14

名称と別名

METHYL 3-FLUORO-5-HYDROXYBENZOATE1072004-32-0DTXSID20673215RefChem:354995DTXCID90623964800-394-1MFCD14698043Methyl3-Fluoro-5-hydroxybenzoateSCHEMBL8514123-fluoro-5-hydroxybenzoic acid methyl esterAC2842AKOS006333272
名称をさらに表示
3-フルオロ-5-ヒドロキシ安息香酸メチルBenzoic acid, 3-fluoro-5-hydroxy-, Methyl ester
AS-61275SY026558CS-0150829DB-114706EN300-7370421F318132Z1201627882

データベース識別子

CAS
1072004-32-0
PubChem CID
46311142
DTXSID
DTXSID20673215
EC Number
800-394-1

物性

構造計算による物性

XLogP
1.9
極性表面積
46.5 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
2
重原子数
12

物理化学的性質

貯蔵温度
Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye 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]

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

安全データ

hs_code
2918290090

化学と産業

サプライヤー35 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Compound Net Biotechnology Inc.15266686121 · [email protected]

関連反応

1 件

化合物ノート

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