2-Methylbenzylisocyanate

CAT: 0127-OR1058863-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1058863-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

56651-58-2

MDL Number

MFCD00673058

Purity

97%

Smiles

CC1=CC=CC=C1CN=C=O

Chemical Information

1-(Isocyanatomethyl)-2-methylbenzene

CAS Number	56651-58-2
PubChem CID	2733386
IUPAC Name	1-(isocyanatomethyl)-2-methylbenzene
Molecular Formula	C9H9NO
Molecular Weight	147.17
XLogP	3
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

CC1=CC=CC=C1CN=C=O

InChI

InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3

InChIKey

VNHPWTGETWKSLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56651-58-2

CID: 2733386

Formula: C9H9NO

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	147.068413911
Monoisotopic Mass	147.068413911
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene

Catalog	Name
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
022261	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)
BLG-H038-005	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP
D443501	Diethyl-2,2,2,2',2',2'-d6-amine HCl
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol