基本情報
- CAS
67100-10-1- 標準SMILES
C#CCCCCC=O- InChIKey
UIRZQOFYQKICOZ-UHFFFAOYSA-N- 分子式
- C7H10O
- 平均分子量
- 110.15 g/mol
- 単同位体質量
- 110.07316494
名称と識別子
- 優先名称
- Hept-6-ynal
- IUPAC
- hept-6-ynal
名称と別名
Hept-6-ynalRefChem:783571850-035-86-Heptynal67100-10-1SCHEMBL2493666SCHEMBL2697336DTXSID80463235UIRZQOFYQKICOZ-UHFFFAOYSA-NAKOS013847252H39176EN300-6210285
データベース識別子
- CAS
67100-10-1- PubChem CID
- 11355455
- DTXSID
DTXSID80463235- EC Number
- 850-035-8
- Nikkaji
- J1.654.962B
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 96
安全と法規制
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；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]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
関連反応
1,431 件
HRID 1812439反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812440反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812441反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812442反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812443反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812444反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812445反応物としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
化合物ノート
読み込み中…