基本情報
- CAS
136-35-6- 標準SMILES
c1ccc(N=NNc2ccccc2)cc1- InChIKey
ALIFPGGMJDWMJH-UHFFFAOYSA-N- 分子式
- C12H11N3
- 平均分子量
- 197.24 g/mol
- 単同位体質量
- 197.09529736
概要
Diazoaminobenzene can cause cancer according to California Labor Code.
名称と識別子
- 優先名称
- Diazoaminobenzene
- IUPAC
- N-phenyldiazenylaniline
- 現地名
- ジアゾアミノベンゼン
- 英語名
- Diazoaminobenzene
- 分子式
- C12H11N3
- 分子量
- 197.24
名称と別名
Diazoaminobenzene136-35-61,3-Diphenyltriazene1-Triazene, 1,3-diphenyl-AnilinoazobenzeneBenzeneazoanilineDAAB1,3-DIPHENYL-1-TRIAZENECelloforDiazoaminobenzenp-DiazoaminobenzeneAniline, N-(phenylazo)-
名称をさらに表示
ジアゾアミノベンゼンフェニルアゾアニリンアニリノアゾベンゼンベンゼンジアゾアニリドベンゼンアゾアニリン1,3-ジフェニルトリアゼンジアゾアミノビスベンゼン1,3-ジフェニル-1,2,3-トリアザ-1-プロペン1,3-ジフェニルトリアザ-1-エンcellofor(czech)DiazoaminobenzolBenzene azoanilidebenzenediazoanilide
BenzeneazoanilideDiazobenzeneanilideTriazene, 1,3-diphenyl-DTXSID90249345T4EEW75HJNSC-2077DTXCID704934NSC2077
データベース識別子
- CAS
136-35-6- PubChem CID
- 8689
- DTXSID
DTXSID9024934- ChEMBL
CHEMBL573540- UNII
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 36.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Other Aromatics (Nitrogen)
Carcinogens
SpringerMaterials PropertiesCrystal structure
Color/FormGOLDEN-YELLOW, SMALL CRYSTALS
Solubility
less than 1 mg/mL at 72 °F (NTP, 1992)
INSOLUBLE IN WATER; FREELY SOLUBLE IN BENZENE, ETHER, HOT ALCOHOL
Boiling Point302 °F at 760 mmHg explodes (NTP, 1992)
Melting Point
208 °F (NTP, 1992)
98 °C
Vapor Density6.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical Description
1,3-diphenyltriazene is an orange solid. (NTP, 1992)
Golden-yellow solid; [Merck Index] Golden yellow crystalline powder; [MSDSonline]
Collision Cross Section147.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9024934]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hazard Traits - Carcinogenicity
1-Triazene, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This material may explode if subjected to severe shock or heat. (NTP, 1992)
Hazards SummaryExplodes when heated to 150 deg C; [Merck Index] May cause irritation; May induce methemoglobinemia; Targets blood, liver spleen, and GI system; [MSDSonline]
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Special Reports
National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Diazoaminobenzene (136-35-6) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s057zdia.pdf]
化学と産業
用途と製造
Uses
Used for organic synthesis, dyes, and insecticides; [Hawley]
ORGANIC SYNTHESIS; DYES; INSECTICIDE
Methods of Manufacturing
BY DIAZOTIZING ANILINE DISSOLVED IN HYDROCHLORIC ACID WITH SODIUM NITRITE AND THEN ADDING A CONCENTRATED SOLUTION OF SODIUM ACETATE: HARTMAN, DICKEY, ORG SYN COLL VOL II 163 (1943).
INTERACTION OF NITROUS ACID AND AN ALCOHOLIC SOLUTION OF ANILINE.
General Manufacturing Information
1-Triazene, 1,3-diphenyl-: ACTIVE
1,3-DIPHENYL-1-TRIAZENE WAS THE MOST ACTIVE OF TWELVE 1,3-DIARYLTRIAZENES TESTED POSTEMERGENCE AT 6 KG/HA AGAINST AMARANTHUS RETROFLEXUS, ARTEMISIA VULGARIS & OTHER COMMON WEEDS.
応用分野
解説1,3-diphenyltriazene．C12H11N3(197.24)．C6H5N=NNH-C6H5．ジアゾアミノベンゼン, アニリンに塩化ベンゼンジアゾニウムを作用させると生成する．淡黄色の結晶．融点99～100 ℃．酸により転位して4-アミノアゾベンゼンを生成する．融点以上に急速に加熱すると爆発する．ゴム加硫剤，重合開始剤に使用される．森北出版「化学辞典（第2版）
用途有機合成原料。
説明Diazoaminobenzene (DAAB) is an aromatic amine that is a suspected carcinogen. It is harmful if inhaled, ingested, or absorbed through the skin. It causes skin irritation and severe irritation to eyes. DAAB can be made by diazotizing aniline dissolved in hydrochloric acid with sodium nitrite and then adding a concentrated solution of sodium acetate. DAAB is listed in the US Environmental Protection Agency’s Toxic Substances Control Act Inventory. DAAB has three major use areas: intermediate, complexing agent, and polymer additive. Use as an intermediate is reported in several industry sectors, including organic synthesis, dye manufacture, and agrochemical manufacture (insecticides). DAAB is also a versatile metal complexing agent. A series of metabolism studies in rodents and human liver slices, electron spin resonance spectroscopy studies, short-term dermal toxicity studies in rodents, and acute bone marrow micronucleus studies in mice demonstrated that DAAB is metabolized and shares similar genotoxic and toxicological properties to the known human carcinogen, benzene, and the known rodent carcinogen, aniline.
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