基本情報
- CAS
6974-77-2- 標準SMILES
CC(CCl)CBr- InChIKey
ZKDOQFPDSUOLGF-UHFFFAOYSA-N- 分子式
- C4H8BrCl
- 平均分子量
- 171.46 g/mol
- 単同位体質量
- 169.94979
名称と識別子
- 優先名称
- 1-Bromo-3-chloro-2-methylpropane
- IUPAC
- 1-bromo-3-chloro-2-methylpropane
- 現地名
- 1-ブロモ-3-クロロ-2-メチルプロパン
- 英語名
- 1-Bromo-3-chloro-2-methylpropane
- 分子式
- C4H8BrCl
- 分子量
- 171.46
名称と別名
名称をさらに表示
データベース識別子
- CAS
6974-77-2- PubChem CID
- 95566
- DTXSID
DTXSID40871175- EC Number
- 230-224-6
- Nikkaji
- J29.157I
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 30
物理化学的性質
- 沸点
- 152 · 152-154 °C(lit.)
- 比重(密度)
- 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.4809(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- soluble in Methanol,Acetone
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- InChI
- InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3
- InChIKey
- ZKDOQFPDSUOLGF-UHFFFAOYSA-N
- SMILES
- C(Br)C(C)CCl
- CAS データベース
- 6974 · 6974-77-2(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Propane, 1-bromo-3-chloro-2-methyl-(6974-77-2)
安全と法規制
GHS分類
GHS Classification
Warning
H302+H332 (11.1%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (75.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (77.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (87%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (85.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (11.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, 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 54 reports by companies from 8 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
Regulatory Information
Status: Active Update: 27-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20108
1-Bromo-3-chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Status: Active Update: 27-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20108
1-Bromo-3-chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- ridadr
- 2810
- hs_code
- 2903 79 30
- risk_code
- 20/21/22-36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 26-37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
用途有機合成原料。
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