Basic information
- CAS
2473-01-0- Standard SMILES
CCCCCCCCCCl- InChIKey
RKAMCQVGHFRILV-UHFFFAOYSA-N- Molecular formula
- C9H19Cl
- Average molar mass
- 162.7 g/mol
- Monoisotopic mass
- 162.1175283
Names & identifiers
- Preferred name
- 1-Chlorononane
- IUPAC
- 1-chlorononane
- English name
- 1-CHLORONONANE
- Molecular formula
- C9H19Cl
- Molecular weight
- 162.7
Names & synonyms
Show more names
Database identifiers
- CAS
2473-01-0、70776-06-6- PubChem CID
- 17185
- DTXSID
DTXSID3049255- ChEMBL
CHEMBL3182251- UNII
- Z28C6JU5BK
- EC Number
- 219-595-5
- Nikkaji
- J1.814G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 52
Experimental & physicochemical properties
Kovats Retention Index
1154;1150;1152;1153.6
1167;1159;1146.3;1159;1144
1363;1364;1350;1364
Physicochemical properties
- Melting point
- -39.4 °C · -39.4°C
- Boiling point
- 202 · 202-204 °C(lit.)
- Density
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.436(lit.)
- Flash point
- 166 °F · 166 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- clear liquid
- color
- Colorless to Almost colorless
- Thermal Conductivity
- 0.128 W/ · 0.128 W/(m·K) at 25 ℃
- BRN
- 1733625 · 1733625
- Henry's Law Constant
- 1.6 · 1.6×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
- InChI
- InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
- InChIKey
- RKAMCQVGHFRILV-UHFFFAOYSA-N
- SMILES
- C(Cl)CCCCCCCC
- CAS DataBase Reference
- 2473 · 2473-01-0(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Nonane, 1-chloro- (2473-01-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 210 e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 · P210e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2903.29 · 2903.29.0000
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903.29.0000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P210e-P280a-P370+P378a-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
Applications
Uses1-Chlorononane has been used in the synthesis of 2-bromo[1-14C]1-decanal, affinity labeling probe for the aliphatic aldehyde site of Vibrio harveyi luciferase.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
Related reactions
Compound notes
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