2-아미노벤즈아미드 (CAS No. 88-68-6)

2-아미노벤즈아미드(CASNo.88-68-6) · 2-AMINOBENZAMIDE · ATA · ANTHRANILIC ACID AMIDE · MGC74674 · DKFZp781A0353 · Anthranilamid · ANTHRANILAMIDE

https://huagongshe.com/ko/chemical/6942

식별자 및 물리적 특성

CAS No.	88-68-6
분자식	C7H8N2O
평균 분자량	136.15 g/mol
단동위원소 질량	136.06366288 g/mol
SMILES	NC(=O)c1ccccc1N
InChIKey	PXBFMLJZNCDSMP-UHFFFAOYSA-N
PubChem CID	6942
ChEMBL	CHEMBL43175
ChEBI	CHEBI:193638
EC No.	201-851-2
DTXSID	DTXSID2021789
현지명	2-아미노벤즈아미드 (CAS No. 88-68-6)

화학 및 물리적 성질

XLogP	0.4
극성 표면적	69.1
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	136
물질 분류	Nitrogen Compounds -> Other Aromatics (Nitrogen)
LogP(분배 계수)	log Kow = 0.350.32
Color/Form	LEAFLETS FROM CHLOROFORM OR WATER
용해도	Soluble in ethanolvery soluble in ethyl ether, benzenevery soluble in ethyl acetate>20.4 [ug/mL] (The mean of the results at pH 7.4)<5g/L
끓는 점	300 °C
녹는점	110 °C (decomposes)109 - 111.5 °C111-113 °C (lit.)
증기압	0.0000263 [mmHg]0.001Pa at 20℃
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description	Solid[HSDB] Light brown crystalline powder[Alfa Aesar MSDS]
밀도	1.1778 (rough estimate)
굴절률	1.5460 (estimate)
인화점	198 °C
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	결정질 분말 또는 플레이크
pKa(산도 계수)	15.77±0.50(Predicted)
색상	밝은 갈색에서 회색 갈색까지
용해도	뜨거운 물과 알코올에 용해됩니다. 에테르와 벤젠에 약간 용해됩니다. 에틸 아세테이트에 매우 용해됩니다.
BRN	508509
헨리 상수	1.3×107 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey	PXBFMLJZNCDSMP-UHFFFAOYSA-N
SMILES	NC(=O)c1ccccc1N
LogP(분배 계수)	0.76 at 25℃
EPA	Anthranilamide (88-68-6)

화학적 성질

light brown to grey-brown cryst. Powder or flakes

안전 및 규제

GHS 분류	DangerH302 (43.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 243 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzamide, 2-aminoStatus: Active Update: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/233492-Aminobenzamide: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	One-generation reproduction feeding study of rats produced reduction in pup viability and weightsNo adverse effects noted to male or female reproductive organs[EPA TSCA] A skin and eye irritantToxic if ingested[Aldrich MSDS] An irritantMay induce methemoglobinemia[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (43.6%)
처리 방법	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
생태독성 수치	LC50 Pimephales promelas (Fathead minnow, age 31 days, mean length 18.1 mm, mean weight 0.093 g) 395 mg/L/96 hr (95% confidence limit: 354-439 mg/L)flow through, 25.8 °C, pH 7.54, dissolved oxygen 7.2 mg/L, hardness 46.0 mg/L CaCO3, alkalinity 45.0 mg/L CaCO3 /98+% purity
환경 거동	TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 37(SRC), determined from a log Kow of 0.35(2) and a regression-derived equation(3), indicates that 2-aminobenzamide is expected to have very high mobility in soil(SRC). Volatilization of 2-aminobenzamide from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.8X10-13 atm-cu m/mole(SRC), using a fragment constant estimation method(4). 2-Aminobenzamide is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.6X10-15 mm Hg(SRC), determined from a fragment constant method(5). Biodegradation data were not available(SRC, 2007).

용도

Anthranilamide can be used as an acetyldehyde scavenger in PET bottles (US Patent, Coca-Cola). It can be used as an intermediate for dyes, pharmaceuticals, agricultural chemicals, perfumes, pigments, flavors and organo luminophores. It can be used in the manufacture of anthranilate esters and ion exchange resins. It can be used as a lacquer additive for food containers. It can be used as a modifier to improve drying of alkyd resins. It can also be used as an antioxidant for greases, lube oils and unsaturated rubbers.