1,5(또는1,8)-디니트로나프탈렌
1,5-Dinitronaphthalene
기본 정보
- CAS
27478-34-8- 표준 SMILES
O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12- InChIKey
ZUTCJXFCHHDFJS-UHFFFAOYSA-N- 분자식
- C10H6N2O4
- 평균 분자량
- 218.17 g/mol
- 단동위원소 질량
- 218.03275667
개요
Yellowish white needles or light yellow fluffy solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,5-Dinitronaphthalene
- IUPAC
- 1,5-dinitronaphthalene
- 현지명
- 1,5(또는1,8)-디니트로나프탈렌
- 영어명
- 1,5(or 1,8)-dinitronaphthalene
- 분자식
- C10H6N2O4
- 분자량
- 218.16564
이름 및 동의어
1,5-DINITRONAPHTHALENE605-71-0Naphthalene, 1,5-dinitro-DTXSID4025165UI2S14IW4TNSC-20593DTXCID505165CHEBI:50640RefChem:417284210-095-271607-49-3MFCD00003916
이름 더 보기
1,5(또는1,8)-디니트로나프탈렌
1,5(Or 1,8)-dinitronaphthaleneNaphthalene, dinitro-CCRIS 6028EINECS 210-095-2NSC 20593UNII-UI2S14IW4TBRN 0527184Napththalene, 1,5-dinitro-
데이터베이스 식별자
- CAS
27478-34-8、605-71-0、71607-49-3- PubChem CID
- 11803
- DTXSID
DTXSID4025165- ChEMBL
CHEMBL167316- ChEBI
CHEBI:50640- UNII
- UI2S14IW4T
- EC Number
- 210-095-2、275-690-1
- Nikkaji
- J2.075C
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 266
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.58
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointSublimes (NTP, 1992)
Melting Point421 to 423 °F (NTP, 1992)
Vapor Pressure0.00000428 [mmHg]
Physical Description
Yellowish white needles or light yellow fluffy solid. (NTP, 1992)
Yellowish-white or light yellow solid; [CAMEO] light yellow crystalline powder; [MSDSonline]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Status: Active Update: 15-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23499
1,5-Dinitronaphthalene: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include nasal irritation, skin pigmentation, headache, dizziness, cyanosis, nausea, vomiting, anemia, insomnia, fatigue, weight loss, central nervous system depression, liver damage, toxic hepatitis, kidney degeneration and kidney damage. Other symptoms may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
Hazards Summary
Potentially explosive; [Ullmann] Explosive; A skin, eye, mucous membrane, and upper respiratory tract irritant; Symptoms of exposure to this compound may include nasal irritation, skin pigmentation, headache, dizziness, cyanosis, nausea, vomiting, anemia, insomnia, fatigue, weight loss, central nervous system depression, liver damage, toxic hepatitis, kidney degeneration and kidney damage. [CAMEO] An irritant; [MSDSonline] See 2-Nitronaphthalene.
화학 및 산업
용도 및 제조
UsesUsed as an intermediate in chemical production; [Ullmann]
관련 반응
6건
화합물 노트
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