基本情報
- CAS
6945-67-1- 標準SMILES
O=[N+]([O-])c1ccnc(Br)c1- InChIKey
AFVITJKRFRRQKT-UHFFFAOYSA-N- 分子式
- C5H3BrN2O2
- 平均分子量
- 202.99 g/mol
- 単同位体質量
- 201.93779
名称と識別子
- 優先名称
- 2-Bromo-4-nitropyridine
- IUPAC
- 2-bromo-4-nitropyridine
- 現地名
- 2-ブロモ-4-ニトロピリジン
- 英語名
- 2-Bromo-4-nitropyridine
- 分子式
- C5H3BrN2O2
- 分子量
- 202.99
名称と別名
2-bromo-4-nitropyridineDTXSID30287685RefChem:466610DTXCID10238832627-225-26945-67-1MFCD03701383NSC521992-Bromo-4-nitropyridine, 95%NSC-52199AKOS000320205CS-W015484
名称をさらに表示
2-ブロモ-4-ニトロピリジン2-Bromo-4-nitropyridine>2-Bromo-4-nitropyridine 95%2-Bromo-4-nitropyridine, 96%2-Bromo-4-nitropyridine ISO 9001：2015 REACH
SY004409EN300-86425Pyridine, 2-bromo-4-nitro-AE-842/34022051F1371-01452-bromo-4-nitro-pyridine2-Bromo-4-Nitro PyridineA9188
データベース識別子
- CAS
6945-67-1- PubChem CID
- 243015
- DTXSID
DTXSID30287685- EC Number
- 627-225-2
- Nikkaji
- J1.352.738E
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 58.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 136
物理化学的性質
- 融点
- 64 ℃ · 64℃
- 沸点
- 286.1 · 286.1±20.0 °C(Predicted)
- 比重(密度)
- 1.833 · 1.833±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 外見
- powder to crystal
- 酸解離定数(Pka)
- -3.12 · -3.12±0.10(Predicted)
- 色
- Light yellow to Yellow to Green
- BRN
- 120826 · 120826
- InChI
- InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
- InChIKey
- AFVITJKRFRRQKT-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC=CC([N+]([O-])=O)=C1
- CAS データベース
- 6945 · 6945-67-1(CAS DataBase Reference)
化学的性質
化学的特性Light yellow solid
安全と法規制
GHS分類
GHS Classification
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 48 reports by companies from 6 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. 4 (12.5%)；Acute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
安全データ
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特（成都）生物制药股份有限公司
関連反応
5 件
化合物ノート
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