Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate / Laboratory Chemicals

1-METHYL-2-BENZIMIDAZOLINONE

CAS：1849-01-0
MW:148.16192
MF：C8H8N2O

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Names and ldentifier
Properties
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1-METHYL-2-BENZIMIDAZOLINONE

1.2 Synonyms: 1,3-Dihydro-1-methyl-2H-benzimidazol-2-one; 1,3-dihydro-3-methyl-2H-benzimidazol-2-one; 1-METHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE; 1-Methyl-1,3-dihydrobenzimidazol-2-one; 1-Methyl-1H-benzo[d]iMidazol-2(3H)-one; 1-METHYL-2-BENZIMIDAZOLINONE; 1-methyl-2-oxo-1,3-dihydrobenzimidazole; 1-methyl-benzimidazol-2-one; 2H-BenziMidazol-2-one, 1,3-dihydro-1-Methyl-; AKOS 90531; MFCD00142654;

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1.3 CAS No.: 1849-01-0

1.4 CID: 590540

1.5 Molecular Formula: C8H8N2O

1.6 Inchi: InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)

1.7 InChkey: PYEHNKXDXBNHQQ-UHFFFAOYSA-N

1.8 Canonical Smiles: CN1C2=CC=CC=C2NC1=O

1.9 Isomers Smiles: CN1C2=CC=CC=C2NC1=O

2. Properties

2.1 Solubility: 微溶 (3.1 g/L) (25 oC),

2.2 Appearance: White to slightly beigeCrystalline Powder

2.3 Chemical Properties: White to slightly beige crystalline powder 1-METHYL-2-BENZIMIDAZOLINONESupplier

2.4 Color/Form: White to slightly beige

2.5 pKa: 12.29±0.30(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

1849-01-0Total: 35 Synthesis Route

95-54-5 177 Suppliers

1849-01-0 18 Suppliers

612-28-2 28 Suppliers

1849-01-0 18 Suppliers

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6. Precursor and Product

precursor:

3805-38-7

100-61-8

615-15-6

612-28-2

4760-34-3

1632-83-3

2360-22-7

1592-00-3

7505-81-9

95-54-5

product:

1849-02-1

22509-11-1

7022-37-9

65657-54-7

3097-21-0

7. Computed Properties

Molecular Weight：148.16192g/mol
Molecular Formula：C₈H₈N₂O
Compound Is Canonicalized：True
Exact Mass：0.7
XLogP3-AA：148.063662883
Monoisotopic Mass：148.063662883
Complexity：181
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：32.3
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAQAAAACAiBEAQzwIPAAACIACRCUACCAAAhAgAIiAAIdIiIYCLAkZGUIAholgJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

8.Other Information

Chemical Properties: White to slightly beige crystalline powder

9. Toltal 18 Suppliers View more

Baoji Guokang Healthchem co.,ltd

^1YR

Tel: Update Time:2024/11/15

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Hangzhou J&H Chemical Co., Ltd

Tel: Update Time:2017/12/14

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Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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Shanghai Hope Chem Co., Ltd.

Tel: Update Time:2018/11/21

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Shanghai Yolne Chemical Co., Ltd

Tel: Update Time:2019/02/23

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10. Realated Product Infomation