CAS 55362-80-6 1-Nonanol, 9-bromo- (HCID 108700)

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Basic information

CAS: 55362-80-6
Standard SMILES: OCCCCCCCCCBr
InChIKey: USJDOLXCPFASNV-UHFFFAOYSA-N
Molecular formula: C9H19BrO
Average molar mass: 223.15 g/mol
Monoisotopic mass: 222.06192733

Names & identifiers

Preferred name: 1-Nonanol, 9-bromo-
IUPAC: 9-bromononan-1-ol
English name: 9-Bromo-1-nonanol
Molecular formula: C9H19BrO
Molecular weight: 223.15

Names & synonyms

9-Bromo-1-nonanol55362-80-61-Nonanol, 9-bromo-9-bromononanolDTXSID8069016RefChem:435089DTXCID8041878611-262-69-bromononan-1-ol9-Bromo-nonan-1-olC9H19BrOMFCD00063348

Show more names

Br-9C-OHMonohydra9-BROMOAN-1-OL9-Bromo-1-nonolMonohydrate ≥9-bromo-1-nonano9-bromnonan-1-ol7-bromo-1-nonanol

9-Bromo-1-nonanol, 97%CS-B0284Nonamethylene bromohydrinAKOS015856511SY015344Fulvestrant impurity 37EN300-67409011-Hydroxy-9-bromononane; 9-Bromo-1-nonanol

Database identifiers

CAS: 55362-80-6
PubChem CID: 108700
DTXSID: DTXSID8069016
EC Number: 611-262-6、927-569-6
Nikkaji: J429.277D

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 11
Formal charge: 0
Complexity: 66.6

Physicochemical properties

Melting point: 33 · 33-35 °C (lit.)
Boiling point: 125 · 125-126 °C/2 mmHg (lit.)
Density: 1.2107 · 1.2107 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in dichloromethane, ethyl acetate and hexane.
form: Solid
pka: 15.19 · 15.19±0.10(Predicted)
color: White to Light yellow to Light orange
BRN: 1737525 · 1737525
Stability: Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey: USJDOLXCPFASNV-UHFFFAOYSA-N
SMILES: OCCCCCCCCCBr

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.