4-Amino-5-imidazolecarboxamide hydrochloride CAS#: 72-40-2; 凯望编码 (ChemWhat Code): 1006896

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名4-Amino-5-imidazolecarboxamide hydrochloride
IUPAC Name4-amino-1H-imidazole-5-carboxamide;hydrochloride
分子结构Structure of 5-Amino-4-imidazolecarboxamide hydrochloride CAS 72-40-2
CAS编号 72-40-2
EINECS Number200-778-3
MDL NumberMFCD00012704
Beilstein Registry Number3701645 
别名5-amino-1H-imidazole-4-carboxamide monohydrochloride, 5-amino-1H-imidazole-4-carboxamide hydrochloride, 5-amino-4-(aminocarbonyl)imidazole hydrochloride, 4-aminoimidazole-5-carboxamide hydrochloride, 5-amino-4-imidazolecarboxamide hydrochloride, 5-aminoimidazole-4-carboxamide hydrochloride, 5-amino-1(3)H-imidazole-4-carboxylic acid amide; hydrochloride
分子式C4H7ClN4O
分子量162.578
InChIInChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
InChI KeyMXCUYSMIELHIQL-UHFFFAOYSA-N
Canonical SMILESc1[nH]c(c(n1)C(=O)N)N.Cl
Patent Information
No data available

Physical Data

AppearancePale grey to greenish powder
Melting Point, °C Solvent (Melting Point)
254.5 – 255
255 – 256H2O, ethanol, diethyl ether
255 – 256diethyl ether, HCl
255 – 256methanol
262.5 – 263.5

Spectra

Description (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Absorption maxima265
Absorption maxima239, 264
Absorption maxima241, 263
Absorption maxima

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 4-Amino-5-imidazolecarboxamide hydrochloride CAS 72-40-2
Route of Synthesis (ROS) of 4-Amino-5-imidazolecarboxamide hydrochloride CAS 72-40-2
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 0℃;79%
With hydrogenchloride; sodium nitrite In water at 0℃; for 0.1h;60%
With hydrogenchloride; sodium nitrite99%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS Code290621
StorageStore at room temperature for long time, in container tightly sealed; Protect from light.
Shelf Life1 year
Market PriceUSD
Use Pattern
4-Amino-5-imidazolecarboxamide hydrochloride CAS#: 72-40-2 is an intermediate of dacarbazine and acamin.

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