Pyrrole-3-carboxylic acid hydrate supplier

Name
Pyrrole-3-carboxylic acid
EINECS
CAS No. 336100-46-0
Density 1.383 g/cm3
Solubility soluble
Melting Point 144-147ºC
Formula C₅H₅NO₂.xH₂O
Boiling Point 340.3ºC at 760 mmHg。产品描述安全性：
Molecular Weight 111.09900
Flash Point 159.6ºC
Transport Information
Appearance
Safety 37/39-26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms PYRROLE-3-CARBOXYLIC ACID HYDRATE;1H-Pyrrole-3-carboxylicacid,hydrate(9CI);1H-Pyrrole-3-carboxylic acid;Pyrrole-3-carboxylic acid;Pyrrole-3-carboxylic acid hydrate,95%;Pyrrole-3-carboxylic acid hydrate,98%;Pyrrole-3-carboxylic acid hydrate, 95% 500MG;1H-Pyrrole-3-carboxylicacid, hydrate (1:)
PSA 53.09000
LogP 0.71290

Pyrrole-3-carboxylic acid hydrate Specification

The CAS register number of 1H-Pyrrole-3-carboxylicacid, hydrate (1:?) is 336100-46-0. It also can be called as Pyrrole-3-carboxylic acid and the systematic name about this chemical is 1H-pyrrole-3-carboxylic acid. The molecular formula about this chemical is C₅H₅NO₂ and the molecular weight is 111.1. It belongs to the following product categories which include Carboxylicacid; Pharmaceutial intermediates and so on.

Physical properties about 1H-Pyrrole-3-carboxylicacid, hydrate (1:?) are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): -0.35; (3)ACD/LogD (pH 7.4): -2.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.75; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 27.61 cm³; (14)Molar Volume: 80.2 cm³; (15)Polarizability: 10.94x10^-24cm³; (16)Surface Tension: 66.1 dyne/cm; (17)Density: 1.383 g/cm³; (18)Flash Point: 159.6 °C; (19)Enthalpy of Vaporization: 61.63 kJ/mol; (20)Boiling Point: 340.3 °C at 760 mmHg; (21)Vapour Pressure: 3.35E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccnc1
(2)InChI: InChI=1/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
(3)InChIKey: DOYOPBSXEIZLRE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
(5)Std. InChIKey: DOYOPBSXEIZLRE-UHFFFAOYSA-N

Product Name

Pyrrole-3-carboxylic acid

Pyrrole-3-carboxylic acid hydrate Specification

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