4,5-Difluoro-2-iodoaniline - CAS 847685-01-2
Catalog: |
BB037296 |
Product Name: |
4,5-Difluoro-2-iodoaniline |
CAS: |
847685-01-2 |
Synonyms: |
4,5-difluoro-2-iodoaniline; 4,5-difluoro-2-iodoaniline |
IUPAC Name: | 4,5-difluoro-2-iodoaniline |
Description: | 4,5-Difluoro-2-iodoaniline (CAS# 847685-01-2) is a useful research chemical. |
Molecular Weight: | 255.00 |
Molecular Formula: | C6H4F2IN |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)I)N |
InChI: | InChI=1S/C6H4F2IN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
InChI Key: | XBOMEOMTVVEEDW-UHFFFAOYSA-N |
MDL: | MFCD03095321 |
LogP: | 2.73280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018330423-A1 | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
CA-3072766-A1 | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
CN-111212842-A | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
KR-20200051686-A | Vasopressin receptor antagonists and related products and methods | 20170905 |
US-10538530-B2 | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.93565 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.93565 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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