Benzonitrile, 4-(chloroacetyl)- (9CI) (CAS 40805-50-3) — formula C9H6ClNO, molecular weight 179.60; category organic chemicals.
| CAS Number | 40805-50-3 |
|---|---|
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.60 |
| LogP | 1.8 |
| Category | Organic Chemicals |
Benzonitrile, 4-(chloroacetyl)- (9CI) is a carbon-based organic compound with CAS registry number 40805-50-3 and molecular formula C9H6ClNO (molecular weight 179.60), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40805-50-3
Its molecular formula C9H6ClNO comprises 9 C, 6 H, 1 Cl, 1 N, 1 O atoms.
Also known as: Benzonitrile, 4-(chloroacetyl)- (9CI) · 4-腈基Α-氯代苯乙酮
Category: organic chemicals
The CAS registry number of Benzonitrile, 4-(chloroacetyl)- (9CI) is 40805-50-3.
Molecular formula C9H6ClNO, molecular weight 179.60.
It is also registered under: Benzonitrile, 4-(chloroacetyl)- (9CI), 4-腈基Α-氯代苯乙酮.
Category: Organic Chemicals.
Independent reference data for Benzonitrile, 4-(chloroacetyl)- (9CI) (CAS 40805-50-3), compiled from public chemistry databases.
| CAS 号 | 40805-50-3 |
|---|---|
| PubChem CID | 142493 |
| 分子式 | C9H6ClNO |
| IUPAC 名称 | 4-(2-chloroacetyl)benzonitrile |
| UNII（FDA） | Z854066922 |
| Molecular Weight | 179.60 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.0137915 |
| Monoisotopic Mass | 179.0137915 |
| Topological Polar Surface Area | 40.9 |
| Heavy Atom Count | 12 |
40805-50-3; 4-(chloroacetyl)benzonitrile; Benzonitrile, 4-(chloroacetyl)-; DTXSID50193794; RefChem:118519; DTXCID90116285; InChI=1/C9H6ClNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H; 4-(2-chloroacetyl)benzonitrile; Benzonitrile, 4-(chloroacetyl)- (9CI); 4-cyanophenacyl chloride; MFCD13172603; Isavuconazole Impurity 86; 4-(2-chloroacetyl)benzenecarbonitrile; SCHEMBL1657827; alpha-Chloro-4'-cyanoacetophenone; LDHNCFIXYHXVDN-UHFFFAOYSA-N
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H318 (100%), H332 (100%), H335 (100%) |
|---|
4-腈基Α-氯代苯乙酮 · CAS 40805-50-3 · C9H6ClNO. UNII Z854066922.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-腈基Α-氯代苯乙酮