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Guanidine carbonate

HCID 11650
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
593-85-1
Standard SMILES
N=C(N)N.N=C(N)N.O=C(O)O
InChIKey
STIAPHVBRDNOAJ-UHFFFAOYSA-N
Molecular formula
C3H12N6O3
Average molar mass
180.17 g/mol
Monoisotopic mass
180.09708827

Names & identifiers

Preferred name
Guanidine carbonate
IUPAC
carbonic acid;bis(guanidine)
English name
Guanidine carbonate
Molecular formula
C2H7N3O3
Molecular weight
121.1

Names & synonyms

593-85-1Guanidine carbonate saltbis carbonateDTXSID0029189V3394X3G2WguanidiniumcarbonatNSC 2171EINECS 209-813-7DiguanidiniumcarbonatUNII-V3394X3G2WAI3-14631DTXCID109189
Show more names
Guanidne carbonateGuanidonium-carbonatGuanidinecarbonate,98%DIGUANIDINIUM CARBONATEGuanidine carbonate salt 99%Carbonicacid,compd.withguanidine(1:2)C2H7N3O3
EC 209-813-7NSC-2171RefChem:144649GUANIDINE CARBONATE [INCI]209-813-7Guanidine carbonateGuanidinium carbonateTUXRBQHZZFVXLV-UHFFFAOYSA-N

Database identifiers

CAS
593-85-1
PubChem CID
11650
DTXSID
DTXSID0029189
ChEMBL
CHEMBL3187576
UNII
V3394X3G2W
EC Number
209-813-7

Properties

Computed structural properties

Topological polar surface area
209 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
52.5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
CosmeticsSkin conditioning; Buffering
Physical Description · 2 items

Dry Powder

White crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Density
1.25 · 1.25
bulk density
500 · 500-700kg/m3
vapor pressure
0 Pa · 0Pa at 25℃
storage temp.
30 °C · Store below +30°C.
solubility
450 g/l · 450g/l
form
Crystalline Powder
pka
12.5 · 12.5[at 20 ℃]
color
White to almost white
PH
11.7 · 11.7 (110g/l, H2O, 20℃)
Odor

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 321 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 4 items

Chemical: Carbonic acid, compound with guanidine (1:2)

Carbonic acid, compd. with guanidine (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonic acid, compd. with guanidine (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Diguanidinium carbonate (EC: 209-813-7)

Guanidinium carbonate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA moderate eye irritant; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Guanidine.
Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to make fine chemicals and in consumer hair relaxer products; [ExPub: ECHA REACH Registrations]

Dressing Hair [Category: Other]

U.S. Production2023: 250,000 - <400,000 lb
Industry UsesProcessing aids not otherwise specified
Household ProductsInformation on 2 consumer products that contain Carbonic acid, compd. with guanidine (1:2) in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning; Buffering
General Manufacturing Information · 2 items

Paper Manufacturing

Carbonic acid, compd. with guanidine (1:2): ACTIVE

Applications · 2 items

UsesGuanidine Carbonate is a strong organic alkali. It is used to adjust the pH of a formulation, organic intermediate, soap and cosmetic products.

UsesGuanidine Carbonate is used in the cytidine triphosphate injection stabilization. It also acts as a powerful and versatile protein denaturants.As a strong chemical base, guanidine carbonate is used as an intermediary in a variety of applications:Organic synthesis materials and analytical reagents.pH adjusting agents for amino resins, antioxidants, resin stabilizer and guanidine soap, also a grout agent, cement additives, surfactants.In terms of synthetic detergent,it is used as a moisture agent and a synergist.For Zinc, cadmium, manganese weight measurement, it is used as a precipitating agent, it is also used in the separation of alkali metal magnesium.

Preparation methods · 1 item

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Related reactions

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New reaction record
HRID 1043750 reaction equation
HRID 1043750As reactantuspto-grants-2013_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Faint odor
Water Solubility
450 g/L · 450 g/L (20 ºC)
BRN
3628359 · 3628359
Cosmetics Ingredients Functions
SKIN CONDITIONINGBUFFERING
InChI
1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
InChIKey
KMSRVXJGTIRNNK-UHFFFAOYSA-N
SMILES
NC(N)=N.NC(N)=N.OC(O)=O
LogP
-1.63 at · -1.63 at 20℃
CAS DataBase Reference
593 · 593-85-1(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
3394 X3G2W · V3394X3G2W
NIST Chemistry Reference
Guanidine carbonate(593-85-1)
EPA Substance Registry System
Guanidine carbonate (2:1) (593-85-1)
UNSPSC Code
12352107 · 12352107
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H318
Precautionary statements
264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
PPE
95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes
Xn
Risk Statements
22 · 22-36/37/38-20/21/22
Safety Statements
26 · 26-36-22
WGK Germany
3 · 3
RTECS
1750000 · FG1750000
Autoignition Temperature
530 °C · 530 °C
TSCA
TSCA listed
HS Code
29252000 · 29252000
Storage Class
13 · 13 - Non Combustible Solids
Hazard Classifications
4 OralEye · Acute Tox. 4 OralEye Dam. 1
Toxicity
50 orally · LD50 orally in Rabbit: 1045 mg/kg
REACH Registrations
Active
3
tsca
TSCA listed
rtecs
FG1750000
hs_code
29252000
Toxicity
LD50 orally in Rabbit: 1045 mg/kg
risk_code
22-36/37/38-20/21/22
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn
safety_code
26-36-22
Storage Class
13 - Non Combustible Solids
Hazard statements
H302-H318
REACH Registrations
Active
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1
Autoignition Temperature
530 °C
Precautionary statements
P264-P270-P280-P301+P312-P305+P351+P338-P501

PreparationSynthesis of guanidine carbonate: Melt double cyanide salts and ammonia to generate guanidine salts (guanidine hydrochloride, guanidine nitrate) at 170-230 ℃ . Then make guanidine salt into an alcohol solution, add soda to free guanidine, absorb carbon dioxide to obtain guanidine carbonate.

Upstream & downstream products

Upstream raw materials

Double cyanamideCarbon dioxideGuanidine hydrochlorideGuanidine nitrate

Downstream products

Sulfometuron-methyl4-Hydrazino-6-methylpyrimidin-2-amine2,5-Diaminopyrimidine6-(tert-Butyl)pyrimidine-2,4-diamine2-Amino-5,6-dimethyl-4-hydroxypyrimidineBrodimoprim5-Chloropyrimidin-2-amine2-Amino-1,3,5-triazine5-tert-butoxyquinazoline-2,4-diaMine3-Oxo-3-o-tolyl-propionic acid ethyl ester2-Amino-6-methyl-4-pyrimidinol(2-AMino-5,6,7,8-tetrahydro-quinazolin-6-yl)-carbaMic acid tert-butyl ester2-Amino-6-(4-fluorophenyl)pyrimidin-4(3H)-one2-Amino-6-(2-methoxyphenyl)pyrimidin-4-ol