1-Iodo-3,4-dimethylbenzene - CAS 31599-61-8
Catalog: |
BB020989 |
Product Name: |
1-Iodo-3,4-dimethylbenzene |
CAS: |
31599-61-8 |
Synonyms: |
4-iodo-1,2-dimethylbenzene |
IUPAC Name: | 4-iodo-1,2-dimethylbenzene |
Description: | 1-Iodo-3,4-dimethylbenzene (CAS# 31599-61-8) is a useful research chemical. |
Molecular Weight: | 232.06 |
Molecular Formula: | C8H9I |
Canonical SMILES: | CC1=C(C=C(C=C1)I)C |
InChI: | InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3 |
InChI Key: | CSFRCLYFVINMBZ-UHFFFAOYSA-N |
Boiling Point: | 106-108 °C (13 mmHg) |
Purity: | 95 % |
Density: | 1.633 g/cm3 |
Appearance: | Clear yellow to red-brown liquid |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00040989 |
LogP: | 2.90800 |
GHS Hazard Statement: | H315 (100%): 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 |
CN-113429331-A | Chiral hexahydroindole derivative and preparation method thereof | 20210408 |
CN-112409224-A | Synthetic method of sulfonamide compound | 20201120 |
CN-111978139-A | Method for synthesizing phenol or derivatives thereof by photocatalysis in aqueous phase in one pot | 20200904 |
CN-111484503-A | Mikanolide derivative and preparation method and application thereof | 20200110 |
WO-2021123294-A1 | Oga inhibitor compounds | 20191218 |
Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.97490 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.97490 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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