2-Aminobenzonitrile (HCID 72913)

이름 및 식별자

우선 이름: 2-Aminobenzonitrile
IUPAC: 2-aminobenzonitrile
영어명: 2-Aminobenzonitrile
분자식: C7H6N2
분자량: 118.14

이름 및 동의어

2-Aminobenzonitrile1885-29-6Benzonitrile, 2-amino-DTXSID90518245RXH2B211RDTXCID4030380RefChem:85364217-549-9Anthranilonitrile2-Cyanoanilineo-Aminobenzonitrileo-Cyanoaniline

이름 더 보기

ANTHRANILIC ACID NITRILEAKOS 911252-CYANANILINEJACS-1885-29-6O-aminonitrile

2-amino-benzonitrileMFCD000076312-aminobenzenecarbonitrileaniline, 2-cyano-aminobenzonitrileBenzonitrile, amino-2-amino benzonitrile2-Cyano-1-aminobenzene

데이터베이스 식별자

CAS: 1885-29-6
PubChem CID: 72913
DTXSID: DTXSID9051824
ChEMBL: CHEMBL3561681
UNII: 5RXH2B211R
EC Number: 217-549-9
Nikkaji: J7.801H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 45 · 45-48 °C (lit.)
끓는 점: 267 · 267-268 °C (lit.)
밀도: 1.11 g/cm3 · 1.11 g/cm3 (50℃)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 플레이크 크리스탈
산도 계수 (pKa): 0.77 · 0.77(at 25℃)
색상: 노란색에서 베이지색 갈색
수용성: 불용성
BRN: 907187 · 907187
InChI: 1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
InChIKey: HLCPWBZNUKCSBN-UHFFFAOYSA-N
SMILES: Nc1ccccc1C#N
LogP: 0.901 · 0.901
NIST: 2 · Benzonitrile, 2-amino-(1885-29-6)
EPA: 2 · Benzonitrile, 2-amino- (1885-29-6)

화학적 성질 · 1건

It is a chemically stable yellow solid that readily forms salts when it encounters acid. It can be oxidized to nitrogen oxide by oxidants but has certain toxicity. The substance is easily soluble in common organic solvents but hardly soluble in low-polarity solvents, and it is insoluble in water.

안전 및 규제

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: CB4575000
ridadr: 3276
독성: LD50 ivn-mus: 180 mg/kg CSLNX* NX#00381
HS 번호: 29269095
risk_code: 20/21/22-36/37/38-43
hazard_code: Xn,T,Xi
safety_code: 26-36/37-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도2-Aminobenzonitrile is used for induction of nitrilase activity in Arthrobacter and for radioprotective agent.

제조 방법 · 1건

Synthesis of 2-Aminobenzonitrile: 2-Aminobenzamide was dehydrated to 2-aminobenzonitrile without protection of the amino group in the presence of phenylphosphonyl dichloride and pyridine. The highest yield of 96% was obtained using reagent 2d, while reagents 2a-c yielded less than 60%.The reagents used for the reaction included phosphoryl chloride (2a), phenyl phosphoryl dichloride (2b), 4-chlorophenyl phosphoryl dichloride (2c), and phenylphosphonic dichloride (2d) in pyridine.synthesis of aminobenzonitrile by dehydration of aminobenzamide using phenylphosphonic dichloride in pyridine