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Procodazole

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Name

Procodazole

EINECS 230-217-8
CAS No. 23249-97-0 Density 1.367 g/cm3
PSA 65.98000 LogP 1.58010
Solubility N/A Melting Point 229-231 °C (dec.)(lit.)
Formula C10H10N2O2 Boiling Point 497.9 °C at 760 mmHg
Molecular Weight 196.674 Flash Point 254.9 °C
Transport Information N/A Appearance white to tan powder, crystals or crystalline. powder and/or chunks
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 23249-97-0 (2-BENZIMIDAZOLEPROPIONIC ACID) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

2-Benzimidazolepropionicacid (6CI,7CI,8CI);(2-Benzimidazolyl)propionic acid;2-(1H-Benzimidazole)propanoic acid;2-(2-Carboxyethyl)benzimidazole;3-(1H-Benzimidazol-2-yl)propanoic acid;3-(1H-Benzimidazol-2-yl)propionic acid;3-(2-Benzimidazolyl)propionic acid;AL 1241;Estimulocel;NSC 35790;Procodazol;1H-Benzimidazole-2-propanoic acid;Propazol;Procodazole [INN];

Article Data 23

Procodazole Specification

The Procodazole, with the CAS registry number 23249-97-0, is also known as 3-(2-Benzimidazolyl)propionic acid. It belongs to the product categories of Benzimidazole; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.2. What's more, its systematic name is 3-(1H-benzimidazol-2-yl)propanoic acid. Its classification code is Drug / Therapeutic Agent.

Physical properties of Procodazole are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 52.36 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 20.75×10-24cm3; (17)Surface Tension: 70.5 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 254.9 °C; (20)Enthalpy of Vaporization: 80.67 kJ/mol; (21)Boiling Point: 497.9 °C at 760 mmHg; (22)Vapour Pressure: 9.84E-11 mmHg at 25°C.

Preparation of Procodazole: this chemical can be prepared by benzene-1,2-diamine and succinic acid by heating. This reaction will need reagent 4M HCl with the reaction time of 5 hours. The yield is about 76.8%.

Procodazole can be prepared by benzene-1,2-diamine and succinic acid by heating

Uses of Procodazole: it can be used to produce 3-(1H-benzimidazol-2-yl)-propionic acid ethyl ester. It will need reagent HCl with the reaction time of 3 hours. The yield is about 80.4%.

Procodazole can be used to produce 3-(1H-benzimidazol-2-yl)-propionic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CCC(=O)O
(2)InChI: InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
(3)InChIKey: XYWJNTOURDMTPI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 390mg/kg (390mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977.
mouse LD50 subcutaneous 1800mg/kg (1800mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977.
rat LD50 intraperitoneal 180mg/kg (180mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977.
rat LD50 oral 1700mg/kg (1700mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977.
rat LD50 subcutaneous 2gm/kg (2000mg/kg)   Drugs of the Future. Vol. 2, Pg. 191, 1977

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