기본 정보
- CAS
1775-95-7- 표준 SMILES
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1- InChIKey
PZPZDEIASIKHPY-UHFFFAOYSA-N- 분자식
- C13H10N2O3
- 평균 분자량
- 242.23 g/mol
- 단동위원소 질량
- 242.06914219
이름 및 식별자
- 우선 이름
- 2-Amino-5-nitrobenzophenone
- IUPAC
- (2-amino-5-nitrophenyl)-phenylmethanone
- 영어명
- 2-Amino-5-nitrobenzophenone
- 분자식
- C13H10N2O3
- 분자량
- 242.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1775-95-7- PubChem CID
- 15681
- DTXSID
DTXSID40170317- UNII
- G2X8PCQ4GY
- EC Number
- 217-207-9
- Nikkaji
- J80.313H
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 88.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 321
실험 및 물리화학적 성질
Kovats Retention Index
2365;2390;2380;2388;2388
2365
물리화학적 성질
- 녹는점
- 166 · 166-168 °C (lit.)
- 끓는 점
- 385.05 °C · 385.05°C (rough estimate)
- 밀도
- 1.248 · 1.2480 (rough estimate)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -2.26 · -2.26±0.36(Predicted)
- 색상
- 베이지색
- 수용성
- 3 mg/L · 3mg/L(20℃)
- InChI
- InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
- InChIKey
- PZPZDEIASIKHPY-UHFFFAOYSA-N
- SMILES
- C(C1=CC([N+]([O-])=O)=CC=C1N)(C1=CC=CC=C1)=O
- NIST
- Methanone, (2-amino-5-nitrophenyl)phenyl-(1775-95-7)
화학적 성질
Yellow Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.8%): 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 48 reports by companies from 8 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
Regulatory Information
Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23260
Methanone, (2-amino-5-nitrophenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23260
Methanone, (2-amino-5-nitrophenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- rtecs
- PC4935000
- HS 번호
- 29223990
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Amino-5-nitrobenzophenone was used in the synthesis of [5-(4-nitrophenyl)-2-furyl]acrylic acid substituted benzophenone (anti-malarial agent).
일반 설명FT-IR and Raman spectra of 2-amino-5-nitrobenzophenone (ANBP) has been reported.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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