4-(2-Chloroethyl)pyrazole Hydrochloride - CAS 103433-17-6
Catalog: |
BB001120 |
Product Name: |
4-(2-Chloroethyl)pyrazole Hydrochloride |
CAS: |
103433-17-6 |
Synonyms: |
4-(2-chloroethyl)-1H-pyrazole;hydrochloride; 4-(2-chloroethyl)-1H-pyrazole;hydrochloride |
IUPAC Name: | 4-(2-chloroethyl)-1H-pyrazole;hydrochloride |
Description: | 4-(2-Chloroethyl)pyrazole Hydrochloride (CAS# 103433-17-6) is a useful research chemical. |
Molecular Weight: | 167.04 |
Molecular Formula: | C5H8Cl2N2 |
Canonical SMILES: | C1=C(C=NN1)CCCl.Cl |
InChI: | InChI=1S/C5H7ClN2.ClH/c6-2-1-5-3-7-8-4-5;/h3-4H,1-2H2,(H,7,8);1H |
InChI Key: | PDBAJMNLLXCMAM-UHFFFAOYSA-N |
LogP: | 1.99300 |
GHS Hazard Statement: | 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] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3180315-A1 | Pyrazoles | 20140815 |
EP-3180315-B1 | Pyrazoles | 20140815 |
JP-2017525700-A | Pyrazoles | 20140815 |
JP-6618525-B2 | Pyrazoles | 20140815 |
US-10155727-B2 | Pyrazoles | 20140815 |
Complexity: | 67.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0064537 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0064537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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