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Carbamimidic acid, methyl ester, sulfate (1:1)

HCID 169039
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
24285-39-0
Standard SMILES
COC(=N)N.O=S(=O)(O)O
InChIKey
MDFRYRPNRLLJHT-UHFFFAOYSA-N
Molecular formula
C2H6N2O.H2O4S
Average molar mass
172.16 g/mol
Monoisotopic mass
172.01539236

Names & identifiers

Preferred name
Carbamimidic acid, methyl ester, sulfate (1:1)
IUPAC
methyl carbamimidate;sulfuric acid
English name
O-METHYLISOUREA SULFATE
Molecular formula
C2H8N2O5S
Molecular weight
172.16

Names & synonyms

29427-58-5Carbamimidic acid, methyl ester, sulfate (1:1)o-Methylisourea hydrogen sulfateO-Methylisourea hydrogen.sulphateEINECS 249-622-6DTXSID1067467RefChem:574063DTXCID1037987249-622-6Methyl carbamimidate sulfateO-METHYLISOUREA SULFATE24285-39-0
Show more names
OMIHSisourea suLOMI HYDROGEN SULFATEO-Methylisourea bisulfateO-METHYLISOUREA SULFATE SALTo-Methylisourea sulfate ,99%
2-Methylpseudourea sulfatemethyl carbamimidate;sulfuric acidMFCD00013132C2H8N2O5S[amino(methoxy)methylidene]azanium;hydrogen sulfate2-Methylisourea sulphate2-Methylpseudourea monosulfate (1:1)2-methylisoureasulphate

Database identifiers

CAS
24285-39-0、29427-58-5、52328-05-9
PubChem CID
169039
DTXSID
DTXSID1067467
EC Number
246-120-9、249-622-6

Properties

Computed structural properties

Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
124

Physicochemical properties

Melting point
118 · 118-120 °C (lit.)
storage temp.
Inert atmosphere,Room Temperature
Appearance
White to off-white Solid
BRN
3722928 · 3722928
InChI
InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey
MDFRYRPNRLLJHT-UHFFFAOYSA-N
SMILES
S(=O)(O)(O)=O.C(=N)(N)OC
CAS DataBase Reference
29427 · 29427-58-5(CAS DataBase Reference)
EPA Substance Registry System
Carbamimidic acid, methyl ester, sulfate (1:1) (29427-58-5)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
TSCA
TSCA listed
HS Code
29252900 · 29252900
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Carbamimidic acid, methyl ester, sulfate (1:1)

Carbamimidic acid, methyl ester, sulfate (1:1): Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29252900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbamimidic acid, methyl ester, sulfate (1:1): ACTIVE

Upstream & downstream products

Upstream raw materials

MethanolUreaDimethyl sulfateCyanamide

Downstream products

DIMETHIRIMOL4(1H)-Pyrimidinone, 2-methoxy- (9CI)2-Amino-4-methoxy-6-methyl-1,3,5-triazine

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
济南岑奔医药科技有限公司14793566
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
河南沃咖斯生物科技有限公司18537671377 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]

Related reactions

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HRID 126906 reaction equation
HRID 126906As reactantuspto-grants-1981_03
HRID 371075 reaction equation
HRID 371075As reactantuspto-grants-1985_07
HRID 496832 reaction equation
HRID 496832As productuspto-grants-2005_09
HRID 496833 reaction equation
HRID 496833As reactantuspto-grants-2005_09
HRID 496834 reaction equation
HRID 496834As reactantuspto-grants-2005_09
HRID 565212 reaction equation
HRID 565212As reactantuspto-grants-2001_01
HRID 586779 reaction equation
HRID 586779As reactantuspto-grants-2005_08
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes