3-(Hydroxymethyl)benzonitrile - CAS 874-97-5
Catalog: |
BB038506 |
Product Name: |
3-(Hydroxymethyl)benzonitrile |
CAS: |
874-97-5 |
Synonyms: |
3-(hydroxymethyl)benzonitrile |
IUPAC Name: | 3-(hydroxymethyl)benzonitrile |
Description: | 3-(Hydroxymethyl)benzonitrile (CAS# 874-97-5) is a useful research chemical. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | C1=CC(=CC(=C1)CO)C#N |
InChI: | InChI=1S/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2 |
InChI Key: | PCOFIIVWHXIDGT-UHFFFAOYSA-N |
Boiling Point: | 165 °C / 16 mmHg |
Density: | 1.13 g/cm3 |
MDL: | MFCD01321087 |
LogP: | 1.05058 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069927-A1 | Prostaglandin ep4 receptor antagonist compounds | 20191009 |
WO-2020248908-A1 | Bifunctional immunomodulator, and pharmaceutically acceptable salt and pharmaceutical composition thereof | 20190610 |
WO-2020244518-A1 | Compound with benzyloxy aromatic ring structure, preparation method and use thereof | 20190604 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
WO-2020198537-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
PMID | Publication Date | Title | Journal |
21202695 | 20080503 | 3,3'-{1,1'-Methyl-enebis[naphthalene-2,1-diylbis(oxymethyl-ene)]}dibenzonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
-
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
-
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
-
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
-
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
-
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Customers Also Viewed
-
[84249-14-9]
2-Amino-4-bromopyridine
-
[38471-47-5]
2-(undecoxy)ethanol
-
[6342-17-2]
1,4-Bis(acryloyl)piperazine
-
[94242-51-0]
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester
-
[63089-56-5]
4-Amino-1,2,3,5,6,7-hexahydro-s-indacene
-
[70684-84-3]
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
INDUSTRY LEADERS TRUST OUR PRODUCTS