4-(4-Chlorobutyl)morpholine--hydrogen chloride (1/1)
Basic information
- CAS
98997-74-1- Standard SMILES
Cl.ClCCCCN1CCOCC1- InChIKey
GVGLBMSAGIOHOA-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2NO
- Average molar mass
- 214.13 g/mol
- Monoisotopic mass
- 213.0687196
Names & identifiers
- Preferred name
- 4-(4-Chlorobutyl)morpholine--hydrogen chloride (1/1)
- IUPAC
- 4-(4-chlorobutyl)morpholine;hydrochloride
- English name
- 4-(4-Chlorobutyl)morpholine hydrochloride
- Molecular formula
- C8H17Cl2NO
- Molecular weight
- 214.13268
Names & synonyms
98997-74-1DTXSID507464064-(4-Chlorobutyl)morpholine--hydrogen chloride (1/1)RefChem:287921DTXCID406971504-(4-Chlorobutyl)morpholine hydrochloride4-(4-chlorobutyl)morpholine;hydrochloride4-(4-Chlorobutyl)morpholine hydrochloride, 98997-74-14-(4-Chlorobutyl)morpholine hydrochloride, 97.0-103.0% (T)
Database identifiers
- CAS
98997-74-1- PubChem CID
- 71310941
- DTXSID
DTXSID50746406- EC Number
- 687-882-6
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 94.1
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- form
- crystals
- BRN
- 3687970 · 3687970
- InChI
- 1S/C8H16ClNO.ClH/c9-3-1-2-4-10-5-7-11-8-6-10;/h1-8H2;1H
- InChIKey
- GVGLBMSAGIOHOA-UHFFFAOYSA-N
- SMILES
- Cl.ClCCCCN1CCOCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H314-H317
- Precautionary statements
- 260 · P260-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 21 · 21-25-34-43
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2923 · UN 2923 6.1(8) / PGIII
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2923 6.1(8) / PGIII
- risk_code
- 21-25-34-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H312-H314-H317
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalSkin Corr. 1BSkin Sens. 1
- Precautionary statements
- P260-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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