HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Amino-2-chlorobenzonitrile
TIMTEC-BB SBB004052 · LABOTEST-BB LT00159892 · 3-CHLORO-4-CYANOANILINE · 4-AMINO-2-CHLOROBENZONITRILE · Benzonitrile, 4-amino-2-chloro- · 4-Amino-2-chlorobenzonitrile >4-Amino-2-chlorobenzonitrile 99% · 4-AMINO-2-CHLOROBENZONITRILE, 98+% · 4-azanyl-2-chloro-benzenecarbonitrile
Identifiers & Physical Properties
| CAS No. | 20925-27-3 |
|---|---|
| Molecular formula | C7H5ClN2 |
| Average molar mass | 152.58 g/mol |
| Monoisotopic mass | 152.01412584 g/mol |
| SMILES | N#Cc1ccc(N)cc1Cl |
| InChIKey | ZFBKYGFPUCUYIF-UHFFFAOYSA-N |
| PubChem CID | 88728 |
| EC No. | 244-114-0 |
| DTXSID | DTXSID20175082 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 49.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 160 |
| Melting point | 116-118 °C(lit.) |
| Boiling point | 339.5±27.0 °C(Predicted) |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 0.67±0.10(Predicted) |
| Color | White to Light yellow to Light orange |
| BRN | 2936425 |
| InChI | 1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2 |
| InChIKey | ZFBKYGFPUCUYIF-UHFFFAOYSA-N |
| SMILES | Nc1ccc(C#N)c(Cl)c1 |
| CAS DataBase Reference | 20925-27-3(CAS DataBase Reference) |
| FDA UNII | WYJ3C99GPF |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H317 |
| GHS precautionary statements | P280 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xn,Xi,N |
| Risk statements (R) | 22-43 |
| Safety statements (S) | 22-24/25-36/37 |
| UN transport number | 3439 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful/Irritant |
| Hazard class | 6.1Skin Sens. 1 |
| Packing group | III |
| Customs code | 2926907090 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.DangerH301 (10.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33507 |
| Hazard Classes and Categories | Acute Tox. 3 (10.6%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | 3439 |
| Customs code | 2926907090 |
| Risk statements (R) | 22-43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi,N |
| hazard_note | Harmful/Irritant |
| Safety statements (S) | 22-24/25-36/37 |
| Hazard class | 6.1Skin Sens. 1 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H317 |
| REACH registrations | Active |
| GHS precautionary statements | P280 |
Applications & Uses
Uses
4-Amino-2-chlorobenzonitrile is commonly used as an organic reagent.