4-クロロ-2-メチル安息香酸

4-Chloro-2-methylbenzoic acid

HCID 348269CAS 7499-07-2
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cc(Cl)ccc1C(=O)O
InChIKey
XXFKOBGFMUIWDH-UHFFFAOYSA-N
分子式
C8H7ClO2
平均分子量
170.59 g/mol
単同位体質量
170.0134572

名称と識別子

優先名称
4-Chloro-2-methylbenzoic acid
IUPAC
4-chloro-2-methylbenzoic acid
現地名
4-クロロ-2-メチル安息香酸
英語名
4-CHLORO-2-METHYLBENZOIC ACID
分子式
C8H7ClO2
分子量
170.59

名称と別名

4-Chloro-2-methylbenzoic acid7499-07-2DTXSID60324678RefChem:98383DTXCID40275795625-372-7Benzoic acid, 4-chloro-2-methyl-MFCD000458524-Chloro-o-toluic acid4-chloro-2-methyl-benzoic acido-Toluic acid, 4-chloro-NSC-407521
名称をさらに表示
4‐クロロ‐2‐メチル安息香酸4-クロロ-2-メチル安息香酸4-クロロ-o-トルイル酸RARECHEM AL BO 04722-METHYL-4-CHLOROBENZOIC ACIDBenzoic acid,4-chloro-2-methyl-4-Chloro-2-methylbenzoicacid,98%4-Chloro-2-methylbenzoic Acid >4-Chloro-2-Methylbenzoic Acid, 97+%2-Carboxy-5-chlorotoluene, 4-Chloro-o-toluic acid
4-chloro-2-methylbenzoicacidNSC407521P66MF6GZK7SCHEMBL109654orb3030525SCHEMBL8483793XXFKOBGFMUIWDH-UHFFFAOYSA-NCL8113

データベース識別子

CAS
7499-07-2
PubChem CID
348269
DTXSID
DTXSID60324678
UNII
P66MF6GZK7
EC Number
625-372-7、917-372-3
Nikkaji
J855.110C

物性

構造計算による物性

XLogP
2.4
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
2
回転可能結合数
1
重原子数
11

物理化学的性質

融点
167 · 167-171 °C (lit.)
沸点
300.3 · 300.3±22.0 °C(Predicted)
比重(密度)
1.31 · 1.310±0.06 g/cm3(Predicted)
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
DMSO（微量）、メタノール（微量）
外見
個体

化学的性質

化学的特性White to yellow powder or crystal

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 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 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Dam. 1 (88.6%)；Eye Irrit. 2A (11.4%)

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
22-41
hazard_code
Xn,Xi
safety_code
26-37/39

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 4-chloro-2-methyl-: ACTIVE

応用分野

使用4-Chloro-2-methylbenzoic acid can be used in the synthesis of:4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid4-chloro-2-methyl-3-nitrobenzoic acid methyl ester

一般的な説明4-Chloro-2-methylbenzoic acid can be synthesized from 4-chlorobenzoic acid via a multi-step reaction process.

上流・下流製品情報

サプライヤー50 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]
INTATRADE GmbH+49 3493/605464 · [email protected]

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