2-아미노-5-니트로벤조니트릴

2-Amino-5-nitrobenzonitrile

HCID 28532CAS 17420-30-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
N#Cc1cc([N+](=O)[O-])ccc1N
InChIKey
MGCGMYPNXAFGFA-UHFFFAOYSA-N
분자식
C7H5N3O2
평균 분자량
163.13 g/mol
단동위원소 질량
163.0381764

이름 및 식별자

우선 이름
2-Amino-5-nitrobenzonitrile
IUPAC
2-amino-5-nitrobenzonitrile
현지명
2-아미노-5-니트로벤조니트릴
영어명
5-Nitroanthranilonitrile
분자식
C7H5N3O2
분자량
163.13

이름 및 동의어

2-Amino-5-nitrobenzonitrile17420-30-35-Nitroanthranilonitrile2-Cyano-4-nitroanilineBenzonitrile, 2-amino-5-nitro-Anthranilonitrile, 5-nitro-2-Kyan-4-nitroanilin2-Kyan-4-nitroanilin [Czech]SEZ79WRA1JCCRIS 9092DTXSID0038839BRN 1425714
이름 더 보기
2-아미노-5-니트로벤조니트릴5-나이트로안트라닐로나이트릴5-Nitroanthranilonit4-Nitro-2-cyananiline2-Cyan-4-nitroaniline2-CYNO-4 NITRO ANILINE2-cyano-4-nitro-anilin5-nitro-anthranilonitril
ANILINE, 2-CYANO-4-NITRO-EINECS 241-446-84-NITRO-2-CYANOANILINEDTXCID80188393-14-00-00980 (Beilstein Handbook Reference)AMINO-5-NITROBENZONITRILE, 2-2Kyan4nitroanilin2Cyano4nitroaniline

데이터베이스 식별자

CAS
17420-30-3
PubChem CID
28532
DTXSID
DTXSID0038839
ChEMBL
CHEMBL3560683
UNII
SEZ79WRA1J
EC Number
241-446-8
Nikkaji
J55.215A

물성

구조 계산 물성

XLogP
1.8
극성 표면적
95.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitroanilines
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Collision Cross Section125.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0038839]

물리화학적 성질

녹는점
200 · 200-207 °C(lit.)
끓는 점
290.19 °C · 290.19°C (rough estimate)
밀도
1.4141 · 1.4141 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
인화점
234 °C · 234 °C
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
화학적 성질 · 1건

yellow to brownish powder. 2-Amino-5-nitrobenzonitrile [17420-30-3], 2-cyano-4-nitroaniline, Mr 163.13, mp 210℃, is readily soluble in acetone, chloroform, and benzene; it is sparingly soluble in water and ethanol. As already mentioned, the reaction of 2-chloro5-nitrobenzonitrile with ammonia gives 2-amino-5-nitrobenzonitrile, an intermediate for azo dyes.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 56.2% (9 of 16) of all reports.

Warning

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/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 16 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31682
Hazards SummaryCauses impaired liver function tests, changes in liver weight, and other blood changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See NITRILES. See p-Nitroaniline.
Hazard Classes and Categories · 2건

Skin Irrit. 2 (37.5%)

Acute toxicity (Oral) - Category 5

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
BX2500000
독성
mouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
HS 번호
29269090
risk_code
20/21/22-36/37/38

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 2-amino-5-nitro-: ACTIVE

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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