니트로비페닐

니트로비페닐 · Nitrobiphenyl · Nitro-1,1'-biphenyl

식별자 및 물리적 특성

CAS No.	28984-85-2
분자식	C12H9NO2
평균 분자량	199.2 g/mol
단동위원소 질량	199.06332853 g/mol
SMILES	O=[N+]([O-])c1ccc(-c2ccccc2)cc1
InChIKey	BAJQRLZAPXASRD-UHFFFAOYSA-N
PubChem CID	7114
ChEMBL	CHEMBL352531
ChEBI	CHEBI:82504
EC No.	202-204-7
DTXSID	DTXSID9041522
현지명	니트로비페닐

화학 및 물리적 성질

XLogP	3.8
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	15
형식 전하	0
복잡도	210
물질 분류	Hazardous Air Pollutants (HAPs)Nitrogen Compounds -> Nitros, Aromatic
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Angular frequency
LogP(분배 계수)	3.77
냄새	SWEETISH ODORSweetish odor.
Color/Form	YELLOW NEEDLES FROM ALCWHITE NEEDLESWhite to yellow, needle-like, crystalline solid.
용해도	Insoluble (NIOSH, 2024)SOL IN ETHER, BENZENE, CHLOROFORM, ACETIC ACIDSLIGHTLY SOL IN COLD ALCSolubility in water: very poor
인화점	290 °F (NIOSH, 2024)143 °C c.c.
끓는 점	644 °F at 760 mmHg (NIOSH, 2024)340 °C @ 760 MM HG340 °C @760 [mm Hg]
Decomposition	When heated to decomp it emits toxic fumes of /nitrogen oxides/.
녹는점	237 °F (NIOSH, 2024)114 °C
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

안전 및 규제

GHS 분류	DangerH350: May cause cancer [Danger Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H350 (100%): May cause cancer [Danger Carcinogenicity]
규제 정보	Hazard Traits - CarcinogenicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityOcular ToxicityRespiratory ToxicityRestricted substance: 4-Nitrobiphenyl4-Nitrodiphenyl: 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.
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	Excerpt from NIOSH Pocket Guide for 4-Nitrobiphenyl:
유해성 요약	4-Nitrobiphenyl is no longer manufactured or used in the United States. Limited information is available on the health effects of 4-nitrobiphenyl. Acute (short-term) exposure to 4-nitrobiphenyl in humans results in irritation of the eyes, mucous membranes, and respiratory tract, and headache, nausea, vomiting, and fatigue. Chronic (long-term) exposure to high concentrations of 4-nitrobiphenyl in workers has resulted in effects on the peripheral and central nervous systems and the liver and kidney. No information is available on the reproductive, developmental, or carcinogenic effects of 4-nitrobiphenyl in humans. EPA has not classified 4-nitrobiphenyl for carcinogenicity.A metabolite of 4-nitrodiphenyl (4-aminodiphenyl) is a recognized bladder carcinogen. Therefore, 4-nitrodiphenyl is classified as a suspected human carcinogen, without an assigned TLV. [ACGIH]
반응성 그룹	Hydrocarbons, Aromatic
EC 분류	Symbol: T, NR: 45-51/53S: 53-45-61
Special Reports	Berlin A, Draper M et alThe toxicology of chemicals - 1. Carcinogenicity, Volume 1 - summary reviews of the scientific evidence. Office for Official Publications of the European Communities, L-2985 Luxembourg, 1989, Vol.1. 184p. Data reviewed includes, introduction, animal data, mutagenic and genotoxic information, human data, scientific conclusions, need for further work, references.