프탈라미산

Phthalamic acid

HCID 6957

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 88-97-1
표준 SMILES: NC(=O)c1ccccc1C(=O)O
InChIKey: CYMRPDYINXWJFU-UHFFFAOYSA-N
분자식: C8H7NO3
평균 분자량: 165.15 g/mol
단동위원소 질량: 165.04259309

이름 및 식별자

우선 이름: Phthalamic acid
IUPAC: 2-carbamoylbenzoic acid
현지명: 프탈라미산
영어명: PHTHALAMIC ACID
분자식: C8H7NO3
분자량: 165.15

이름 및 동의어

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

이름 더 보기

프탈라미산프탈아마이드산PTHALAMIC ACIDPhthalamicAcid>Phthalic monoamide2-CARBOXYBENZAMIDERARECHEM AL BO 0299Phthalamic acid 97%

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 80.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 202

물리화학적 성질

녹는점: 140 · 140-143 °C(lit.)
끓는 점: 394.2 · 394.2±25.0 °C(Predicted)
밀도: 1.368 · 1.368
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.75 · 3.75±0.10(Predicted)
색상: 흰색에서 황백색까지
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
EPA: 2 · Benzoic acid, 2-(aminocarbonyl)- (88-97-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

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

응용 분야 · 2건

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

일반 설명Phthalamic 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.