Basic information
- Standard SMILES
Cl.N=C(N)c1ccc(Cl)cc1- InChIKey
RXAOGVQDNBYURA-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2N2
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 190.00645362
Names & identifiers
- Preferred name
- 4-Chlorobenzene-1-carboximidamide hydrochloride
- IUPAC
- 4-chlorobenzenecarboximidamide;hydrochloride
- English name
- 4-Chlorobenzene-1-carboximidamide hydrochloride
- Molecular formula
- C7H8Cl2N2
- Molecular weight
- 191.06
Names & synonyms
4-Chlorobenzene-1-carboximidamide hydrochlorideBenzenecarboximidamide, 4-chloro-, hydrochloride (1:1)RefChem:521935604-389-314401-51-54-Chlorobenzamidine hydrochloride4-chloro-benzamidine hydrochlorideMFCD00126401p-Chlorobenzamidine hydrochlorideBenzenecarboximidamide, 4-chloro-, monohydrochloride4-Chlorobenzenecarboximidamide monohydrochloride4-CHLOROBENZIMIDAMIDE HYDROCHLORIDE
Show more names
4-CHLOROBENZAMIDINE HCL4-Chlorobenzimidamide HClp-chloro-benzamidhydrochloride4-chlorbenamidine hydrochloride4-ChlorobenzamidineHydrochloride>p-chloro-benzamidinmonohydrochloride4-Chlorobenzene-1-carboximidamideHCl4-Chlorobenzamidine hydrochloride ,95%
4-chlorobenzenecarboximidamide;hydrochloride4-chlorobenzamidine;hydrochloride4-Chlorobenzamidine Monohydrochloride4-chlorobenzenecarboxamidine, chlorideSMR000354347EN300-107516AI3-23662Benzamide, p-chloro-, hydrochloride
Database identifiers
- CAS
14401-51-5- PubChem CID
- 203436
- DTXSID
DTXSID80162599- ChEMBL
CHEMBL1406830- EC Number
- 604-389-3
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 244 °C · 244 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- InChI
- 1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
- InChIKey
- RXAOGVQDNBYURA-UHFFFAOYSA-N
- SMILES
- Cl.NC(=N)c1ccc(Cl)cc1
- CAS DataBase Reference
- 14401 · 14401-51-5(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-43-36-25
- Safety Statements
- 26 · 26-36-37/39-45-36/37
- WGK Germany
- 3 · WGK 3
- RTECS
- 6136200 · CV6136200
- Hazard Note
- Irritant
- HS Code
- 29252900 · 29252900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
- Toxicity
- 50 · mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (20%)
Safety data
- wgk
- WGK 3
- rtecs
- CV6136200
- hs_code
- 29252900
- Toxicity
- mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
- risk_code
- 36/37/38-43-36-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-45-36/37
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Chlorobenzene-1-carboximidamide, HCl
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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