Phthalamic acid (HCID 6957)

名称と識別子

優先名称: Phthalamic acid
IUPAC: 2-carbamoylbenzoic acid
現地名: フタルアミド酸
英語名: PHTHALAMIC ACID
分子式: C8H7NO3
分子量: 165.15

名称と別名

2-carbamoylbenzoic acidPHTHALAMIC ACIDPhthalamidic acidBenzoic acid, 2-(aminocarbonyl)-UNII-V344H4PF3YV344H4PF3YNSC-5344EINECS 201-871-1AI3-26413DTXSID0058980CHEBI:50736RefChem:173983

名称をさらに表示

フタルアミド酸フタラミン酸2-(アミノカルボニル)安息香酸2-カルバモイル安息香酸PTHALAMIC ACIDPhthalamicAcid>Phthalic monoamide2-CARBOXYBENZAMIDERARECHEM AL BO 0299Phthalamic acid 97%

DTXCID6048628CYMRPDYINXWJFU-UHFFFAOYSA-N88-97-1Phthalamide acidPhthalic acid monoamidePhthalic monoamideo-Carbamoylbenzoic acid2-(Aminocarbonyl)benzoic acid

データベース識別子

CAS: 88-97-1
PubChem CID: 6957
DTXSID: DTXSID0058980
ChEBI: CHEBI:50736
UNII: V344H4PF3Y
EC Number: 201-871-1
Nikkaji: J27.021K

物性

構造計算による物性

XLogP: 0.1
極性表面積: 80.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 202

物理化学的性質

融点: 140 · 140-143 °C(lit.)
沸点: 394.2 · 394.2±25.0 °C(Predicted)
比重(密度): 1.368 · 1.368
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 3.75 · 3.75±0.10(Predicted)
色: ホワイトからオフホワイト
BRN: 1868205 · 1868205
InChI: 1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey: CYMRPDYINXWJFU-UHFFFAOYSA-N
SMILES: NC(=O)c1ccccc1C(O)=O
CAS データベース: 88 · 88-97-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzoic acid, 2-(aminocarbonyl)- (88-97-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationBenzoic acid, 2-(aminocarbonyl)-: ACTIVE

応用分野 · 2 件

使用Phthalamic Acid is a reactant in the synthesis of phthalimide derivatives with analgesic activity.

一般的な説明Phthalamic acid can be synthesized from the reaction between ammonia and phthalic anhydride by a modified Auger′s method. Kinetic studies of the intramolecular carboxylic-group assisted hydrolysis of amide bond of phthalamic acid provided the value of pseudo-first order rate constant (kobs) as 5.1×10-5sec-1 at pH 1.3-1.8 and 35°C. It undergoes hydrolysis about 105 times faster than benzamide.