4,4'-ジニトロビフェニル

4,4'-Dinitro-1,1'-biphenyl

HCID 15216CAS 1528-74-1
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
BDLNCFCZHNKBGI-UHFFFAOYSA-N
分子式
C12H8N2O4
平均分子量
244.2 g/mol
単同位体質量
244.04840674

概要

structure

名称と識別子

優先名称
4,4'-Dinitro-1,1'-biphenyl
IUPAC
1-nitro-4-(4-nitrophenyl)benzene
現地名
4,4'-ジニトロビフェニル
英語名
4,4'-DINITROBIPHENYL
分子式
C12H8N2O4
分子量
244.2

名称と別名

4,4'-DINITROBIPHENYL1528-74-14,4'-Dinitro-1,1'-biphenyl1,1'-Biphenyl, 4,4'-dinitro-4,4'-DinitrodiphenylBiphenyl, 4,4'-dinitro-4,4'-Dinitrobifenyl6X8N704C9UNSC-8738DTXSID4061757RefChem:96276DTXCID9034945
名称をさらに表示
4,4'-ジニトロビフェニル4,4'-ジニトロジフェニル4,4'-ジニトロ-1,1'-ビフェニル4,4′-ジニトロ-1,1′-ビフェニル4,4′-ジニトロジフェニル4,4′-ジニトロビフェニル4,4’-dinitrobifenyl4,4-DINITROBIPHENYL4,4’-dinitrodiphenyl4,4’-dinitro-biphenySALOR-INT L253294-1EA4,4'-Dinitrobiphenyl 1G
216-210-21-nitro-4-(4-nitrophenyl)benzeneMFCD000397444,4'-Dinitrobifenyl [Czech]CCRIS 3375HSDB 55264,4/'-DinitrobiphenylNSC 8738

データベース識別子

CAS
1528-74-1
PubChem CID
15216
DTXSID
DTXSID4061757
ChEMBL
CHEMBL73297
UNII
6X8N704C9U
EC Number
216-210-2
Nikkaji
J7.752F

物性

構造計算による物性

XLogP
3.6
極性表面積
91.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
1
重原子数
18

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesBoiling point
LogP3.2
Color/FormNEEDLES FROM ALCOHOL
SolubilityINSOL IN WATER; SOL IN HOT ALCOHOL, BENZENE & ACETIC ACID
Melting Point240-243 °C

物理化学的性質

融点
242 °C · 242°C
沸点
387.12 °C · 387.12°C (rough estimate)
比重(密度)
1.3468 · 1.3468 (rough estimate)
屈折率
1.636 · 1.6360 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
powder to crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] Mild eye irritant in rabbits; [RTECS]
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

tsca
TSCA listed
rtecs
DV4000000
hs_code
2904.20.4500
risk_code
20/21/22
消防法
危-5-II
safety_code
22-36/37/39

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

FOLLOWING THE ORAL OR IP ADMIN OF 4,4'-DINITROBIPHENYL TO GUINEA PIGS, 4,4'-DIACETYLBENZIDINE (4,4'-DIACETYLAMINOBIPHENYL) WAS EXCRETED IN THE URINE. THE METABOLISM OF 4,4'-DINITROBIPHENYL IN THE RAT WAS CONSIDERABLY SLOWER THAN IN THE GUINEA PIG. 3-CHLORO-4-AMINO-4'-NITROBIPHENYL & 3-CHLORO-4-ACETAMIDO-4'-NITROBIPHENYL WERE FOUND IN THE URINE OF RATS BUT NOT OF GUINEA PIGS. APPARENTLY, IN THE RAT HALOGENATION OCCURS IN A METABOLIC PATHWAY FOR THE METABOLITES OF 4,4'-DINITROBIPHENYL, 4-AMINO-4'-NITROBIPHENYL & 4-ACETAMIDO-4'-NITROBIPHENYL.

用途と製造

General Manufacturing Information1,1'-Biphenyl, 4,4'-dinitro-: INACTIVE

応用分野

使用steroid hormone precursor

調製方法

純化方法Crystallise the biphenyl from *C6H6, EtOH (charcoal) or Me2CO. Dry it under vacuum over P2O5. It sublimes at ~138o/2.9x10-3mm. [Beilstein 5 H 584, 5 III 1760, 5 IV 1827.]

上流・下流製品情報

サプライヤー41 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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