3-Chloro-4-methylphenol (HCID 14853)

名称と識別子

優先名称: 3-Chloro-4-methylphenol
IUPAC: 3-chloro-4-methylphenol
現地名: 3-クロロ-p-クレゾール
英語名: 3-Chloro-4-methylphenol
分子式: C7H7ClO
分子量: 142.58

名称と別名

3-Chloro-4-methylphenol615-62-3Phenol, 3-chloro-4-methyl-EINECS 210-439-1NSC 157351DTXSID9060655RefChem:93443DTXCID4043064VQZRLBWPEHFGCD-UHFFFAOYSA-N3-Chloro-p-cresolp-Cresol, 3-chloro-3-chloro-4-methyl-phenol

名称をさらに表示

3-クロロ-4-メチルフェノール3-クロロ-p-クレゾール2-Chloro-4-hydroxytoluene3-Chloro-4-methylphenol 98%3-Chloro-4-methylphenol, CAS 615-62-32-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol

MFCD0006031947HY68GZ7QNSC-157351NSC157351UNII-47HY68GZ7QSCHEMBL305945SCHEMBL1379775SCHEMBL2841487

データベース識別子

CAS: 615-62-3
PubChem CID: 14853
DTXSID: DTXSID9060655
UNII: 47HY68GZ7Q
EC Number: 210-439-1
Nikkaji: J95.369E

物性

構造計算による物性

XLogP: 3.3
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 94

物理化学的性質

融点: 48 · 48-53 °C
沸点: 228 °C · 228 °C
比重(密度): 0 · 0,963g/cm
屈折率: 1 · 1,403
闪点: 228 °C · 228°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to lump
酸解離定数(Pka): 9.3 · 9.30±0.18(Predicted)
色: Light yellow to Amber to Dark green
InChI: InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C)C(Cl)=C1
CAS データベース: 615 · 615-62-3(CAS DataBase Reference)
EPAの化学物質情報: 3 · Phenol, 3-chloro-4-methyl- (615-62-3)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 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.