基本情報
- CAS
556112-20-0- 標準SMILES
C#Cc1ccc(Cl)c(Cl)c1- InChIKey
MJHFEHXRVNTQIL-UHFFFAOYSA-N- 分子式
- C8H4Cl2
- 平均分子量
- 171.02 g/mol
- 単同位体質量
- 169.9690055
名称と識別子
- 優先名称
- 3,4-Dichlorophenylacetylene
- IUPAC
- 1,2-dichloro-4-ethynylbenzene
- 現地名
- 3,4-ジクロロフェニルアセチレン
- 英語名
- 3,4-Dichlorophenylacetylene
- 分子式
- C8H4Cl2
- 分子量
- 171.02
名称と別名
3,4-DichlorophenylacetyleneRefChem:485986625-339-7556112-20-01,2-dichloro-4-ethynylbenzene1,2-Dichloro-4-ethynyl-BenzeneMFCD07783046Benzene, 1,2-dichloro-4-ethynyl-DTXSID706573283,4-Dichlorophenylacetylene, 97%AB93365D84161
名称をさらに表示
3,4-ジクロロフェニルアセチレン3,4-DICHLORO-1-ETHYNYLBENZENE1,2-Dichloro-4-ethynylbenzene - [D94225]3,4-DICHLOROPHENYLACETYLENE ISO 9001：2015 REACH1,2-Dichloro-4-ethynylbenzene, 3,4-Dichloro-1-ethynylbenzene
EN300-1254858MJHFEHXRVNTQIL-UFT-0647186SCHEMBL2236921SCHEMBL18244904MJHFEHXRVNTQIL-UHFFFAOYSA-NGXA11220AKOS010651451
データベース識別子
- CAS
556112-20-0- PubChem CID
- 44119622
- DTXSID
DTXSID70657328- EC Number
- 625-339-7
- Nikkaji
- J2.767.928E
物性
構造計算による物性
- XLogP
- 3.9
- 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
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 156
物理化学的性質
- 融点
- 38 · 38-42 °C
- 沸点
- 225.1 · 225.1±30.0 °C(Predicted)
- 比重(密度)
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 闪点
- 96 °C · 96 °C
- 貯蔵温度
- 2 · 2-8°C
- 外見
- fluffy crystalline powder
- 色
- Pale orange/gold
- InChI
- 1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
- InChIKey
- MJHFEHXRVNTQIL-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1Cl)C#C
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (97.6%)
安全データ
- wgk
- 3
- hs_code
- 2903998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37
- Hazard Classifications
- Aquatic Chronic 4Eye 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49 社
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海药森生物科技有限公司18916117619 18916117619
関連反応
4 件
化合物ノート
読み込み中…