3-クロロ-2-フルオロ安息香酸

3-Chloro-2-fluorobenzoic acid

HCID 302931
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基本情報

CAS
161957-55-7
標準SMILES
O=C(O)c1cccc(Cl)c1F
InChIKey
FCSSYEWURMTUSM-UHFFFAOYSA-N
分子式
C7H4ClFO2
平均分子量
174.55 g/mol
単同位体質量
173.9883852

名称と識別子

優先名称
3-Chloro-2-fluorobenzoic acid
IUPAC
3-chloro-2-fluorobenzoic acid
現地名
3-クロロ-2-フルオロ安息香酸
英語名
3-Chloro-2-fluorobenzoic acid
分子式
C7H4ClFO2
分子量
174.56

名称と別名

3-Chloro-2-fluorobenzoic acid161957-55-7RefChem:278164630-303-9FCSSYEWURMTUSM-UHFFFAOYSA-N2-Fluoro-3-chlorobenzoic acid3-Chloro-2-fluorobenzoicacid3-Chloro-2-fluoro Benzoic acidBenzoic acid, 3-chloro-2-fluoro-MFCD000425063-Chloro-2-fluoro-benzoic acidSCHEMBL401838
名称をさらに表示
3-クロロ-2-フルオロ安息香酸3-クロロ-2-フルオロ安息香酸 塩化物CAS:161957-55-7BUTTPARK 14\01-29RARECHEM AL BO 13033-Chloro-2-Fluorobenzoic3-Chloro-2-fluoroboronic acid3-Chloro-2-fluorobenzoicacid98%3-Chloro-2-fluorobenzoic Acid >
CS-W017482AB01929PS-8620SY014701C2117EN300-109406F8880-1898Z1203161795

データベース識別子

CAS
161957-55-7
PubChem CID
302931
EC Number
630-303-9
Nikkaji
J766.757D

物性

構造計算による物性

XLogP
2.2
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
11

物理化学的性質

融点
177 · 177-180 °C (lit.)
沸点
278.9 · 278.9±20.0 °C(Predicted)
比重(密度)
1.477 · 1.477±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): 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, 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 8 reports by companies from 5 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)

法規制情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

wgk
3
tsca
TSCA listed
hs_code
29163990
risk_code
20/21/22-36/37/38
hazard_code
Xi,Xn
safety_code
22-24/25-36-26

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 3-chloro-2-fluoro-: ACTIVE

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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