基本情報
- CAS
827-94-1- 標準SMILES
Nc1c(Br)cc([N+](=O)[O-])cc1Br- InChIKey
YMZIFDLWYUSZCC-UHFFFAOYSA-N- 分子式
- C6H4Br2N2O2
- 平均分子量
- 295.92 g/mol
- 単同位体質量
- 293.86395
概要
structure in first source
名称と識別子
- 優先名称
- 2,6-Dibromo-4-nitroaniline
- IUPAC
- 2,6-dibromo-4-nitroaniline
- 現地名
- 2,6-ジブロモ-4-ニトロアニリン
- 英語名
- 2,6-Dibromo-4-nitroaniline
- 分子式
- C6H4Br2N2O2
- 分子量
- 295.92
名称と別名
2,6-DIBROMO-4-NITROANILINE827-94-1Benzenamine, 2,6-dibromo-4-nitro-Aniline, 2,6-dibromo-4-nitro-GWI915PON9DTXSID7052573NSC-38765DTXCID4031146RefChem:83140212-577-82,6-dibromo-4-nitro-anilin27-94-1
名称をさらに表示
2,6-ジブロモ-4-ニトロアニリン4-ニトロ-2,6-ジブロモアニリン2，6ジブロモ-4ニトロアニリン2,6‐ジブロモ‐4‐ニトロアニリン2,6-ジブロモ-4-ニトロアニリン, 97+%HSDB 6072SBB007584AKOS B015999ZINC03861371190268_ALDRICHEINECS 212-577-8TIMTEC-BB SBB0075842,6-Dibromo-4-nitroa
MFCD00007639NSC 387652,6-dibromo-4-nitro-aniline2,6-DIBROMO-4-NITROBENZENAMINE2,6-DIBROMO-P-NITROANILINENSC38765Aniline,6-dibromo-4-nitro-2,6-dibromo-4-nitrophenylamine
データベース識別子
- CAS
827-94-1- PubChem CID
- 13231
- DTXSID
DTXSID7052573
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 71.8 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
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 173
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Color/FormYELLOW NEEDLES FROM ALCOHOL OR ACETIC ACID
Solubility
> 10% IN ACETIC ACID
Slightly sol in water
Boiling Point207 °C
Physical DescriptionYellow solid; [HSDB]
Collision Cross Section134.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7052573]
物理化学的性質
- 融点
- 205 · 205-207 °C (lit.)
- 沸点
- 207 °C · 207°C (rough estimate)
- 比重(密度)
- 2.2265 · 2.2265 (rough estimate)
- 屈折率
- 1.622 · 1.6220 (estimate)
- 貯蔵温度
- 2 · 2-8°C, protect from light
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, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 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
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] May cause irritation; [MSDSonline] See p-Nitroaniline.
TSCA RequirementsSection 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
化学と産業
用途と製造
General Manufacturing InformationBenzenamine, 2,6-dibromo-4-nitro-: ACTIVE
応用分野
用途有機合成原料。
使用2,6-Dibromo-4-nitroaniline is an intermediate in the synthesis of PBB 180 (P215190), a brominated biphenyls that can be used as a flame retardant and often incorporated into consumer products including appliances, electronics and plastics.
上流・下流製品情報
上流原料
下流製品
関連反応
18 件
化合物ノート
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