基本情報
- CAS
492-17-1- 標準SMILES
Nc1ccc(-c2ccccc2N)cc1- InChIKey
RDMFEHLCCOQUMH-UHFFFAOYSA-N- 分子式
- C12H12N2
- 平均分子量
- 184.24 g/mol
- 単同位体質量
- 184.10004839
概要
2,4'-Diphenyldiamine is a member of biphenyls.
名称と識別子
- 優先名称
- 2,4'-Biphenyldiamine
- IUPAC
- 2-(4-aminophenyl)aniline
- 現地名
- 2,4'-ジアミノビフェニル
- 英語名
- 24DIAMINOBIPHENYL
- 分子式
- C12H12N2
- 分子量
- 184.24
名称と別名
2,4'-Diphenyldiamine2,4'-BIPHENYLDIAMINEo,p'-Dianiline2,4'-Diaminodiphenylo,p'-Bianilineo,p'-Diaminobiphenylortho,para'-BianilineHSDB 2869ortho,para'-Diaminobiphenyl(1,1'-Biphenyl)-2,4'-diamine2,4'-Diaminobifenyl2,4'-Diaminobifenyl [Czech]
名称をさらに表示
2,4'-ビフェニルジアミン2,4'-ビアニリン1,1'-ビフェニル-2,4'-ジアミンビフェニル-2,4'-ジアミン2,4'-ジアミノビフェニル2,4'-ジアミノジフェニルジフェニリン[1,1'-ビフェニル]-2,4'-ジアミン２，４´－ジフェニルジアミン２，４ジフェニルジアミン2,4'-ジフェニルジアミン[1,1′-ビフェニル]-2,4′-ジアミン2,4′-ビアニリン2,4′-ジアミノジフェニル2,4′-ジアミノビフェニル1,1′-ビフェニル-2,4′-ジアミン2,4′-ビフェニルジアミンビフェニル-2,4′-ジアミンDiphenyline24DIAMINOBIPHENYL2-(4-aminophenyl)aniline2-(4-azanylphenyl)aniline1,1'-Biphenyl-2,4'-diamine[2-(4-aminophenyl)phenyl]amine
2,4'-Diamino-1,1'-biphenylUNII-AS5YLT4951BRN 2090325AS5YLT4951[1,1'-Biphenyl]-2,4'-diamineDIPHENYLDIAMINE, 2,4'-DTXSID201977094-13-00-00360 (Beilstein Handbook Reference)
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 52 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 173
実験および物理化学的性質
PolymersNitrogen Compounds -> Amines, Polyaromatic
Color/FormNEEDLES FROM DIL ALCOHOL
Solubility
VERY SLIGHTLY SOL IN ALCOHOL OR ETHER
INSOL IN WATER
Boiling Point363 °C
DecompositionSEE DIPHENYLAMINE. WHEN HEATED TO DECOMPOSITION, IT EMITS HIGHLY TOXIC FUMES. /DIPHENYLAMINE/
Melting Point45 °C
Physical DescriptionSolid; [Merck Index]
物理化学的性質
- 融点
- 54.5 °C · 54.5°C
- 沸点
- 308.2 °C · 308.2°C (rough estimate)
- 比重(密度)
- 1.116 · 1.1160 (rough estimate)
- 屈折率
- 1.6266 · 1.6266 (estimate)
- 酸解離定数(Pka)
- 4.46 · 4.46±0.10(Predicted)
- 色
- alc (aq) からの針
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。
危険有害性情報
Fire PotentialSEE DIPHENYLAMINE. SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. /DIPHENYLAMINE/
毒性情報
Carcinogen Classification
2,4'-Diphenyldiamine
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals
1987
1987
Non-Human Toxicity Excerpts
...50 MALE WISTAR RATS (100 G) RECEIVED 2 MG...DAILY IN DIET FOR LIFE... AVERAGE SURVIVAL TIMES WERE 378 DAYS FOR CONTROLS & 426 DAYS FOR TREATED GROUPS. NO TUMORS WERE SEEN IN EITHER GROUP...
ONE FEMALE & 1 MALE MONGREL DOG WERE FED 5 MG/KG BODY WT...DAILY 6 TIMES/WK FOR 7 YR. FEMALE DEVELOPED BASAL-CELL CARCINOMA OF SKIN AFTER 4.5 YR, & BRONCHIOLAR CARCINOMA WAS FOUND @ DEATH @ 8.5 YR. MALE HAD NODULAR HYPERPLASIA OF SPLEEN @ DEATH @ 8 YR 10 MO.
...FEMALE DOG DEVELOPED NODULAR HYPERPLASIA OF SPLEEN @ 8 YR 10 MO AFTER RECEIVING 5 MG/KG BODY WT BENZIDINE & 5 MG/KG BODY WT 2,4'-DIPHENYLDIAMINE DAILY FOR 7 YR (2,4'-DIPHENYLDIAMINE WAS ACCIDENTALLY CONTAMINATED WITH DINITROBIPHENYL DURING 3 WK IN THIRD YR OF EXPERIMENT)...
Evidence for CarcinogenicityNo data are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.
Antidote and Emergency Treatment
TREATMENT: 1. GASTRIC LAVAGE WITH WATER OR POTASSIUM PERMANGANATE SOLN (1:5000). ... 3. ADMIN OXYGEN & USE ARTIFICIAL RESP... 4. TREAT SHOCK CAUTIOUSLY BECAUSE OF UNCERTAIN CARDIAC STATUS... /ANILINE/
TREATMENT: 5. TRANSFUSIONS WITH WHOLE BLOOD OR WASHED RED CELLS...MAY BE NECESSARY. 6. ...SEDATIVES IF NECESSARY. 7. /PRC: TREAT HEMOGLOBINEMIA ONLY IF SEVERE/. METHYLENE BLUE (1% SOLN) 1 TO 2 MG/KG IV... 8. EXTRACORPOREAL HEMODIALYSIS...IN SEVERE SYSTEMIC POISONINGS. /ANILINE/
化学と産業
用途と製造
Uses
Used to detect tungsten and to manufacture azo dyes; [Merck Index]
DETECTION AGENT FOR TUNGSTEN AS TUNGSTATE; CHEMICAL INTERMEDIATE FOR AZO DYES
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) NOT PRODUCED COMMERCIALLY IN US
(1975) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingREDUCTION OF AZOBENZENE WITH TIN AND HYDROCHLORIC ACID
調製方法
純化方法Crystallise the diamine from aqueous EtOH or pet ether (m 54-54.5o). [Beilstein 9 III 416, 9 IV 360.]
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