3-ブロモ-2-ニトロアニリン
3-Bromo-2-nitroaniline
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基本情報
- CAS
7138-15-0- 標準SMILES
Nc1cccc(Br)c1[N+](=O)[O-]- InChIKey
GLKHLBAXHLAQBJ-UHFFFAOYSA-N- 分子式
- C6H5BrN2O2
- 平均分子量
- 217.02 g/mol
- 単同位体質量
- 215.95344
名称と識別子
- 優先名称
- 3-Bromo-2-nitroaniline
- IUPAC
- 3-bromo-2-nitroaniline
- 現地名
- 3-ブロモ-2-ニトロアニリン
- 英語名
- 3-Bromo-2-nitroaniline
- 分子式
- C6H5BrN2O2
- 分子量
- 217.02
名称と別名
3-Bromo-2-nitroaniline7138-15-0DTXSID10618776RefChem:277356DTXCID90569530810-100-3MFCD080632483-bromo-2-nitrobenzenamine3-bromo-2-nitrophenylamineSCHEMBL1161841SCHEMBL30152889GLKHLBAXHLAQBJ-UHFFFAOYSA-N
名称をさらに表示
3-ブロモ-2-ニトロアニリンZinc061301393-BROMO-2-NITROANILINE:98%2-Amino-6-bromonitrobenzene3-Bromo-2-nitro-phenylamineBenzenamine, 3-bromo-2-nitro-3-Bromo-2-nitroaniline ISO 9001：2015 REACH2-Amino-6-bromonitrobenzene, 3-Amino-2-nitrobromobenzene
SBB064484AKOS005257073AC-3660CS-W014826PS-4206SY024324DB-006365EN300-109346
データベース識別子
- CAS
7138-15-0- PubChem CID
- 21852072
- DTXSID
DTXSID10618776- EC Number
- 810-100-3
物性
構造計算による物性補完中
- XLogP
- 2.3
- 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
- 11
- 形式電荷
- 0
- 複雑度
- 159
物理化学的性質
- 融点
- 118 °C · 118 °C
- 沸点
- 298.4 · 298.4±20.0 °C(Predicted)
- 比重(密度)
- 1.812 · 1.812±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C(protect from light)
- 酸解離定数(Pka)
- -1.3 · -1.30±0.10(Predicted)
- 外見
- 結晶性
- 色
- 暗赤色
- InChI
- InChI=1S/C6H5BrN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
- InChIKey
- GLKHLBAXHLAQBJ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(Br)=C1[N+]([O-])=O
- CAS データベース
- 7138 · 7138-15-0(CAS DataBase Reference)
化学的性質
化学的特性Brown powder
化学的特性3-Bromo-2-nitroaniline is an aromatic amine compound containing bromine and nitro groups. It is stable at room temperature and not easy to decompose. It is easy to undergo condensation reactions under acidic conditions.
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
Danger
H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (25%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (25%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (25%)；Acute Tox. 4 (50%)；Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；STOT SE 3 (75%)；STOT RE 2 (25%)；Aquatic Chronic 3 (25%)
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