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CAS No.: | 75-29-6 |
---|---|
Name: | Isopropyl chloride |
Article Data: | 189 |
Molecular Structure: | |
Formula: | C3H7Cl |
Molecular Weight: | 78.5416 |
Synonyms: | 2-Propyl chloride;Chlorodimethylmethane;Isoprid;Isopropyl chloride;Propane, 2-chloro-;Narcosop;R 280da; |
EINECS: | 200-858-8 |
Density: | 0.874 g/cm3 |
Melting Point: | -118 °C |
Boiling Point: | 37.254 °C at 760 mmHg |
Flash Point: | -35 °C |
Solubility: | 3.1 g/L (20 °C) in water |
Appearance: | colorless liquid with pleasant smells |
Hazard Symbols: | F+, Xi, Xn, F |
Risk Codes: | 12-36/37-20/21/22-11 |
Safety: | 9-29 |
Transport Information: | UN 2456 3/PG 1 |
PSA: | 0.00000 |
LogP: | 1.63360 |
Conditions | Yield |
---|---|
With indium(III) chloride; dimethylmonochlorosilane; benzil In dichloromethane at 20℃; for 6h; | 100% |
With priphenylchlorophosphonium phosphorodichloridate at 20℃; Arbuzov reaction; | 84% |
With hydrogenchloride at 120℃; under 7500.75 Torr; Flow reactor; | 54% |
methylthiol
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine
A
isopropyl chloride
B
ametryn
Conditions | Yield |
---|---|
With ZSM-5 In isopropyl alcohol at 90 - 110℃; under 3675.37 - 5850.59 Torr; for 1h; Temperature; Pressure; Reagent/catalyst; Sealed tube; | A 70.91 g B 99.9% |
Conditions | Yield |
---|---|
With thionyl chloride In tetrachloromethane for 2h; Heating; | A 99% B n/a |
isopropyloxy(diphenyl)-λ6-sulfanenitrile
A
isopropyl chloride
B
S,S-diphenylsulphoximine
Conditions | Yield |
---|---|
With hydrogenchloride In [D3]acetonitrile at 20℃; for 0.25h; | A 99% B n/a |
pyridine
A
isopropyl chloride
B
cis-Cl(py)Pt(COMe)[C(OiPr)(Me)]
C
isopropyl alcohol
Conditions | Yield |
---|---|
In tetrahydrofuran-d8 at 55℃; for 21h; | A n/a B 98% C n/a |
propene
isopropyl chloride
Conditions | Yield |
---|---|
With hydrogenchloride; chromium; silica gel at 140℃; Product distribution; Rate constant; oth. temperature, oth. catalysts, E(activ.); | 95% |
With hydrogenchloride; aluminium oxide, chlorided at 40 - 60℃; under 759.826 - 1519.65 Torr; for 200h; | 94% |
With hydrogenchloride; aluminium oxide, fluorided for 200h; | 94% |
tetrachloromethane
oxygen
diisopropylmercury
A
propane
B
isopropyl chloride
C
chloroform
D
isopropylmercury(II) chloride
Conditions | Yield |
---|---|
In neat (no solvent) 20°C, 96 h; further products; | A 4% B 48% C 30% D 95% E 5% |
Conditions | Yield |
---|---|
With tin(IV) chloride In dichloromethane at 110℃; for 60h; sealed tube; Inert atmosphere; | 95% |
With titanium tetrachloride In dichloromethane at 150℃; for 60h; |
Conditions | Yield |
---|---|
With phosphorus trichloride at 0 - 50℃; for 50h; | A 94% B n/a |
propene
A
2-chloropropene
B
1,2-Dichloropropane
C
E/Z-1,3-Dichloropropene
D
isopropyl chloride
E
propenyl chloride
F
3-chloroprop-1-ene
Conditions | Yield |
---|---|
With aluminum oxide; copper dichloride; dibenzoyl peroxide at 489.9℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide); | A 0.7% B 3.3% C 0.8% D 1.8% E 0.9% F 91.4% |
2-Chloropropane is an organic compound with the formula C3H7Cl, and its systematic name is the same with the product name. With the CAS registry number 75-29-6, it is also named as Isopropyl chloride. It belongs to the product categories of Organics; Chloro Alkane Compounds. Its EINECS number is 209-187-5. In addition, the molecular weight is 78.54. Its classification code is Mutation data. This chemcial should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light, heat and fire. This chemical is used as raw material in organic synthetic to prepare pesticide propachlor. It is also used as a solvent.
Physical properties of 2-Chloropropane are: (1)ACD/LogP: 1.976; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.70; (6)ACD/BCF (pH 7.4): 18.70; (7)ACD/KOC (pH 5.5): 283.14; (8)ACD/KOC (pH 7.4): 283.14; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.379; (13)Molar Refractivity: 20.755 cm3; (14)Molar Volume: 89.817 cm3; (15)Polarizability: 8.228×10-24cm3; (16)Surface Tension: 18.92 dyne/cm; (17)Density: 0.874 g/cm3; (18)Flash Point: -35 °C; (19)Enthalpy of Vaporization: 27.037 kJ/mol; (20)Boiling Point: 37.254 °C at 760 mmHg; (21)Vapour Pressure: 488.79 mmHg at 25°C.
Preparation of 2-Chloropropane: this chemical can be prepared by propan-2-ol at the temperature 20 °C. This reaction will need reagent chlorotriphenylphosphonium dichlorophosphate. The yield is about 84%.
Uses of 2-Chloropropane: it can be used to produce chlorodiethylisopropylsilane at the temperature of 50 °C. It will need reagent Li and solvent petroleum ether with the reaction time of 1 hour. The yield is about 92%.
When you are using this chemical, please be cautious about it as the following:
This chemcial is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. This substance is irritating to eyes and respiratory system. You should keep the container in a well-ventilated place, and you must not empty it into drains.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)C
(2)Std. InChI: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
(3)Std. InChIKey: ULYZAYCEDJDHCC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 119gm/m3 (119000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990. | |
mouse | LD50 | oral | 1300mg/kg (1300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990. |
rat | LC50 | inhalation | 120gm/m3 (120000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990. | |
rat | LC50 | inhalation | 120gm/m3 (120000mg/m3) | BLOOD: CHANGES IN LEUCOCYTE (WBC) COUNT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990. |
rat | LD50 | oral | 5gm/kg (5000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990. |