4-Chloro-2-butyn-1-ol
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4-Chloro-2-butyn-1-ol
structure -
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CAS No:
13280-07-4
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Formula:
C4H5ClO
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Chemical Name:
4-Chloro-2-butyn-1-ol
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Synonyms:
2-Butyn-1-ol,4-chloro-;4-Chloro-2-butyn-1-ol;4-Chloro-2-butynol;1-Chloro-2-butyn-4-ol;4-Chloro-2-butyne-1-ol;1-Chloro-4-hydroxy-2-butyne
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CAS No:
Characteristics
20.2
0.22090
1.2049 g/cm3 @ Temp: 25 °C
87-88 °C @ Press: 12 Torr
92-94°C/13mm
1.5004
Miscible with diethyl ether.
-20°C
0.0866mmHg at 25°C
Intravenous-Mouse LD50: 56 mg/kg
Thermal decomposition to emit toxic chloride fumes
Safety Information
II
1987
3
10-20/21/22-36/37/38
16-26-36
ES0725000
Xn
The warehouse is ventilated and dry at low temperature;
Thermally sensitive explosion
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
UN 1987
P261; P305 + P351 + P338
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
moderately toxic
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intravenous | Rodent - mouse | 56 mg/kg | Details of toxic effects not reported other than lethal dose value-- | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02978 |
Computed Properties
Molecular Weight:104.53
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:104.0028925
Monoisotopic Mass:104.0028925
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:76
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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