2-아미노벤즈아미드 (CAS No. 88-68-6)

Anthranilamide

HCID 6942CAS 88-68-6

기본 정보

표준 SMILES
NC(=O)c1ccccc1N
InChIKey
PXBFMLJZNCDSMP-UHFFFAOYSA-N
분자식
C7H8N2O
평균 분자량
136.15 g/mol
단동위원소 질량
136.06366288

개요

2-Aminobenzamide is a substituted aniline.

이름 및 식별자

우선 이름
Anthranilamide
IUPAC
2-aminobenzamide
현지명
2-아미노벤즈아미드 (CAS No. 88-68-6)
영어명
Anthranilamide
분자식
C7H8N2O
분자량
136.15

이름 및 동의어

2-AMINOBENZAMIDEAnthranilamide88-68-6o-AminobenzamideAminobenzamideAnthranilimidic acidBenzamide, o-amino-Benzoic acid, 2-amino-, amideDTXSID2021789Q1M2WEK6VAortho-aminobenzamideNSC-38768
이름 더 보기
2-아미노벤즈아미드(CASNo.88-68-6)ATAMGC74674DKFZp781A0353Anthranilamid2-amino-benzamido-amino-benzamid
DTXCID501789RefChem:465088201-851-22-(N-methyl-3-phenylpropanamido)benzoic acidBenzamide, 2-amino-Anthranilic acid amide2-Carbamoylaniline2-Amino-Benzamide

데이터베이스 식별자

CAS
88-68-6
PubChem CID
6942
DTXSID
DTXSID2021789
ChEMBL
CHEMBL43175
ChEBI
CHEBI:193638
UNII
Q1M2WEK6VA
EC Number
201-851-2
Nikkaji
J38.665K

물성

구조 계산 물성

XLogP
0.4
극성 표면적
69.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
LogP · 3건

log Kow = 0.35

0.35

0.32

Color/FormLEAFLETS FROM CHLOROFORM OR WATER
Solubility · 2건

Soluble in ethanol; very soluble in ethyl ether, benzene; very soluble in ethyl acetate

>20.4 [ug/mL] (The mean of the results at pH 7.4)

Boiling Point300 °C
Melting Point · 2건

110 °C (decomposes)

109 - 111.5 °C

물리화학적 성질

녹는점
111 · 111-113 °C (lit.)
끓는 점
300 °C · 300 °C
밀도
1.1778 · 1.1778 (rough estimate)
증기압
0.001 Pa · 0.001Pa at 20℃
굴절률
1.546 · 1.5460 (estimate)
인화점
198 °C · 198 °C

화학적 성질

light brown to grey-brown cryst. Powder or flakes

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (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.

유해성 정보

Regulatory Information · 3건

Chemical: Benzamide, 2-amino

Status: Active Update: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23349

2-Aminobenzamide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

One-generation reproduction feeding study of rats produced reduction in pup viability and weights; No adverse effects noted to male or female reproductive organs; [EPA TSCA] A skin and eye irritant; Toxic if ingested; [Aldrich MSDS] An irritant; May induce methemoglobinemia; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (43.6%)

안전 및 보호

Disposal Methods · 1건

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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

독성 정보

Ecotoxicity Values · 1건

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

Environmental Fate · 3건

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).

AQUATIC 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 not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 7.8X10-13 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2007).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-aminobenzamide, which has an estimated vapor pressure of 2.6X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 2-aminobenzamide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4 hours(SRC), calculated from its rate constant of 1.0X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 2-aminobenzamide may be removed from the air by wet or dry deposition(SRC). 2-Aminobenzamide does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Soil Adsorption/Mobility · 1건

The Koc of 2-aminobenzamide is estimated as 37(SRC), using a log Kow of 0.35(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-aminobenzamide is expected to have very high mobility in soil. However, aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC).

Artificial Pollution Sources2-Aminobenzamide's production and use as an azoic dye intermediate(1) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration · 1건

An estimated BCF of 3 was calculated in fish for 2-aminobenzamide(SRC), using a log Kow of 0.35(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
CU8993000
HS 번호
29242995
risk_code
22-36/37/38-43
hazard_code
Xn,Xi

화학 및 산업

약리 정보

Mechanism of ActionADP-ribose synthesis inhibitor
Metabolism/Metabolites · 1건

Recent experiments with administration of anthranilic acid in rats afforded two new metabolites; anthranilamide and a light blue fluorescent substance. Administration of anthranilamide to rats resulted in urinary excretion of two main metabolites which were isolated from urine as 3-hydroxyanthranilamide-O-sulfate and 5-hydroxyanthranilamide-O-sulfate. This fact showed that anthranilamide is hydroxylated and then conjugated in vivo. Hydroxylation of anthranilamide was found to be catalyzed by drugs hydroxylation system but not by the microsomes alone, and is a specific reaction activated by a protein component contained in the soluble fraction. The purified protein component was recognized that it was bluish green protein containing copper and zinc, and its molecular weight was 25,700. This protein component had no effect on the metabolism of drugs by liver microsomes but showed specific activation of hydroxylation of 2-aminobenzoyl compounds.

MeSH Pharmacological Classification · 1건

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Cellular LocationsCytoplasm

용도 및 제조

Uses · 4건

Used in fluorescent dyes and as a laboratory chemical; [HSDB]

Azoic dye diazo component

Laboratory chemical used to derivatize oligosaccharides.

Fluorescent Dyes

U.S. Production · 2건

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5316]

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

General Manufacturing InformationBenzamide, 2-amino-: ACTIVE
응용 분야 · 1건

용도Anthranilamide 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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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湖北万得化工有限公司15377098680 15377098680 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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