Methyl 4-chloro-2-methoxybenzoate

HCID 327084

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基本情報

CAS: 78955-90-5
標準SMILES: COC(=O)c1ccc(Cl)cc1OC
InChIKey: UTEXPQWKBMXWJD-UHFFFAOYSA-N
分子式: C9H9ClO3
平均分子量: 200.62 g/mol
単同位体質量: 200.0240218

名称と識別子

優先名称: Methyl 4-chloro-2-methoxybenzoate
IUPAC: methyl 4-chloro-2-methoxybenzoate
英語名: Methyl 4-chloro-2-methoxybenzoate
分子式: C9H9ClO3
分子量: 200.62

名称と別名

methyl 4-chloro-2-methoxybenzoateDTXSID00316178RefChem:816323DTXCID30267301813-126-378955-90-5MFCD09800922METHYL4-CHLORO-2-METHOXYBENZOATENSC300574Benzoic acid, 4-chloro-2-methoxy-, methyl esterSCHEMBL1484183UTEXPQWKBMXWJD-UHFFFAOYSA-N

名称をさらに表示

Methyl 2-methoxy-4-chlorobenzoate4-chloro-2-Methoxy-benzoicacidMethylester

methyl 4-chloro-2-methoxy-benzoateAKOS005147189NSC-300574AC-24331BS-25944SY396800DB-119438CS-0127627

データベース識別子

CAS: 78955-90-5
PubChem CID: 327084
DTXSID: DTXSID00316178
EC Number: 813-126-3
Nikkaji: J3.265.135F

物性

構造計算による物性

XLogP: 3.4
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 184

物理化学的性質

融点: 36 °C · 36 °C
沸点: 271.4 · 271.4±20.0 °C(Predicted)
比重(密度): 1.228 · 1.228±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
色: Colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.