基本情報
- CAS
39633-51-7- 標準SMILES
CCCCCCCCCCCCCCCN=C=O- InChIKey
HULTVDSPXGVYBQ-UHFFFAOYSA-N- 分子式
- C16H31NO
- 平均分子量
- 253.42 g/mol
- 単同位体質量
- 253.24056461
名称と識別子
- 優先名称
- Pentadecyl isocyanate
- IUPAC
- 1-isocyanatopentadecane
- 英語名
- PENTADECYL ISOCYANATE 97
- 分子式
- C16H31NO
- 分子量
- 253.42
名称と別名
Pentadecyl isocyanateRefChem:859730622-997-739633-51-71-ISOCYANATOPENTADECANEpentadecylisocyanatn-pentadecylisocyanatePentadecyl isocyanate, 97%SCHEMBL1000112SCHEMBL4103453SCHEMBL4103458DTXSID60560650
名称をさらに表示
PENTADECYL ISOCYANATE 97Pentadecane, 1-isocyanato-
HULTVDSPXGVYBQ-UHFFFAOYSA-N
データベース識別子
- CAS
39633-51-7- PubChem CID
- 14464675
- DTXSID
DTXSID60560650- EC Number
- 622-997-7
物性
構造計算による物性
- XLogP
- 8.2
- 極性表面積
- 29.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 14
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 197
物理化学的性質
- 沸点
- 320 · 320-324 °C(lit.)
- 比重(密度)
- 0.852 g/mL · 0.852 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.4470(lit.)
- 闪点
- 230 °F · >230 °F
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)
安全データ
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- risk_code
- 20/21/22-36/37/38-42
- hazard_code
- Xn
- safety_code
- 23-26-36-45
化学と産業
上流・下流製品情報
上流原料
サプライヤー4 社
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SIGMA—
SIGMAALDRICH—
関連反応
4 件
化合物ノート
読み込み中…