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Cas Database |
| Name |
Water |
EINECS | 215-185-5 |
| CAS No. | 7732-18-5 | Density | 0.999 g/cm3 |
| PSA | 9.23000 | LogP | -0.06430 |
| Solubility | 1 M at 20 °C | Melting Point |
318 °C(lit.) |
| Formula | H2O | Boiling Point | 100 °C at 760 mmHg |
| Molecular Weight | 18.0153 | Flash Point | 100°C |
| Transport Information | UN 1824 8/PG 2 | Appearance | colourless liquid |
| Safety | 26 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
caustic soda liquid;Aquafina;Distilled water;Hydrogen oxide (H2O);UltrexII Ultrapure; |
Article Data | 2976 |
Water Synthetic route
B
- 7732-18-5
water
| Conditions | Yield |
|---|---|
| tetrabutyl ammonium fluoride In xylene at 152℃; Conversion of starting material; | A 100% B 100% |
| N-formyl Rosinamine In xylene at 154℃; Conversion of starting material; | A 92% B 92% |
| Conditions | Yield |
|---|---|
| platinum In neat (no solvent) reaction at room temperature;; | 100% |
| platinum In neat (no solvent) reaction at room temperature;; | 100% |
| alpha-alumina impergnated with patinum nitrate and tin (II) chloride calcinated at 500C (0.08 wtpercent Pt; 0.08 wtpercent Sn) at 300℃; under 9000.9 Torr; Conversion of starting material; Gas phase; |
| Conditions | Yield |
|---|---|
| In water pure SO2 is introduced into alkaline Na2S soln.; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| In water at 60°C, complete conversion;; pure Na2S2O3; | A n/a B 100% |
| In water mechanism discussed:; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) over H2SO4 in 7d;; | 100% |
| In neat (no solvent) loss of 3mol H2O in vac. over BaO;; | |
| In neat (no solvent) complete loss of H2O in vac. over H2SO4 within 8d at 0°C, in 2d at 22°C;; | >99 |
- 463-58-1
carbon oxide sulfide
- 7722-84-1
dihydrogen peroxide
A
- 124-38-9
carbon dioxide
B
- 7664-93-9
sulfuric acid
C
- 7732-18-5
water
| Conditions | Yield |
|---|---|
| With potassium sulfate; potassium hydrogensulfate; potassium peroxomonosulfate In water Kinetics; oxidation of OCS studied in round-bottom Pyrex bulbs, acid-water mixtures introduced into bulbs and degassed, bulb reactors filled with with a gas mixture slightly above 1 atm total pressure with a typical mixing ratio of OCS:Ar:He=40:60:700 Torr; gas chromy. and mass spectroscopy applied for determination of product content; | A 100% B n/a C n/a |
| With sulfuric acid In water Kinetics; oxidation of OCS studied in round-bottom Pyrex bulbs, acid-water mixtures introduced into bulbs and degassed, bulb reactors filled with with a gas mixture slightly above 1 atm total pressure with a typical mixing ratio of OCS:Ar:He=40:60:700 Torr; gas chromy. and mass spectroscopy applied for determination of product content; | A 100% B n/a C n/a |
B
- 7732-18-5
water
| Conditions | Yield |
|---|---|
| In neat (no solvent, solid phase) decomposition at 100 °C; | A 100% B n/a |
| Conditions | Yield |
|---|---|
| In water Kinetics; Reduction of (NH4)2S2O3 (c=0.4 mole/liter) by H2S in aq. soln. (50°C, pH=5, p(H2S)=0.08 MPa) in presence of Si-based catalyst.; Gravimetrical determination of S.; | A n/a B 99.7% |
| In water Kinetics; Reduction of (NH4)2S2O3 (c=1.0 mole/liter) by H2S in aq. soln. (50°C, pH=5, p(H2S)=0.08 MPa) in presence of Si-based catalyst.; Gravimetrical determination of S.; | A n/a B 99.87% |
| In water Kinetics; Reduction of (NH4)2S2O3 (c=1.0 mole/liter) by H2S in aq. soln. (50°C, pH=5, p(H2S)=0.08 MPa).; Gravimetrical determination of S.; | A n/a B 76.1% |
| In water Kinetics; Reduction of (NH4)2S2O3 (c=0.4 mole/liter) by H2S in aq. soln. (50°C, pH=5, p(H2S)=0.08 MPa).; Gravimetrical determination of S.; | A n/a B 71.5% |
| Conditions | Yield |
|---|---|
| In hydrogenchloride 20°C;satd. solns.; molar ratio 2 : 1; 15 % HCl soln., ,30 min;; S coagulated by addn. of gelatine or Al2(SO4)3; | A n/a B 99.7% |
| In hydrogenchloride 20°C;satd. solns.; molar ratio 2 : 1; 15 % HCl soln., ,30 min;; S coagulated by addn. of gelatine or Al2(SO4)3; | A n/a B 99.7% |
| In hydrogenchloride 20°C; satd. solns.; molar ratio 2 : 1; 3.5 % HCl soln.;; S coagulated by addn. of gelatine or Al2(SO4)3;; | A n/a B 93.5% |
| Conditions | Yield |
|---|---|
| Stage #1: methanol With dihydrogen peroxide In water Liquid phase; Stage #2: Cu/Zn/Al2O3 In water Conversion of starting material; Gas phase; | A n/a B n/a C n/a D 99% |
Water Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Water Specification
The Water, with the CAS registry number 7732-18-5,is also known as Deionized water;Distilled water;Purified water. It belongs to the product categories of Melamine;Mono-;Mycotoxins;NOWPak Products;saccharides);Sterols.Its EINECS number is 231-791-2. This chemical's molecular formula is H2O and molecular weight is 18.01. What's more,Its systematic name is Water.It is a colourless liquid which is used in the preparation of cell culture media, and cell suspension and washing solutions.It is a clear, odorless, tasteless liquid that is essential for most animal and plant life and is an excellent solvent for many substances.Water is miscible with many liquids, for example ethanol, in all proportions, forming a single homogeneous liquid.Water and most oils are immiscible usually forming layers according to increasing density from the top. As a gas, water vapor is completely miscible with air. Water forms an azeotrope with many other solvents. Water can be split by electrolysis into hydrogen and oxygen.
Physical properties about Water are:
(1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Index of Refraction: 1.329; (11)Molar Refractivity: 3.676 cm3; (12)Molar Volume: 18.045 cm3; (13)Polarizability: 1.457 10-24cm3; (14)Surface Tension: 72.2689971923828 dyne/cm; (15)Density: 0.999 g/cm3; (16)Flash Point: °C; (17)Enthalpy of Vaporization: 40.65 kJ/mol; (18)Boiling Point: 100 °C at 760 mmHg; (19)Vapour Pressure: 24.4750003814697 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:O;
(2)Std. InChI:InChI=1S/H2O/h1H2;
(3)Std. InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N.
The toxicity data of Water are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 320gm/kg (320000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. |
| dog | LDLo | oral | 629gm/kg (629000mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. | |
| guinea pig | LDLo | oral | 429gm/kg (429000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. |
| infant | TDLo | oral | 333gm/kg (333000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Archives of Disease in Childhood. Vol. 54, Pg. 551, 1979. |
| man | TDLo | oral | 42.86gm/kg (42860mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. |
| mouse | LD50 | intraperitoneal | 190gm/kg (190000mg/kg) | National Technical Information Service. Vol. AD628-313, | |
| mouse | LD50 | intravenous | 25gm/kg (25000mg/kg) | Microvascular Research. Vol. 8, Pg. 320, 1974. | |
| rabbit | LDLo | intravenous | 13gm/kg (13000mg/kg) | BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. |
| rabbit | LDLo | oral | 368gm/kg (368000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 29, Pg. 135, 1926. |
| rabbit | LDLo | rectal | 450gm/kg (450000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | JAMA, Journal of the American Medical Association. Vol. 104, Pg. 1569, 1935. |
| rat | LD50 | oral | > 90mL/kg (90mL/kg) | Food Research. Vol. 21, Pg. 348, 1956. | |
| women | LDLo | rectal | 180gm/kg/28H (180000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | JAMA, Journal of the American Medical Association. Vol. 104, Pg. 1569, 1935. |
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