CAS 7357-67-7 4-(3-Chloropropyl)morpholine (HCID 95834)

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Basic information

CAS: 7357-67-7
Standard SMILES: ClCCCN1CCOCC1
InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N
Molecular formula: C7H14ClNO
Average molar mass: 163.64 g/mol
Monoisotopic mass: 163.07639175

Names & identifiers

Preferred name: 4-(3-Chloropropyl)morpholine
IUPAC: 4-(3-chloropropyl)morpholine
English name: 4-(3-Chloropropyl)morpholine
Molecular formula: C7H14ClNO
Molecular weight: 163.65

Names & synonyms

4-(3-Chloropropyl)morpholineN-(3-Chloropropyl)morpholineMorpholine, 4-(3-chloropropyl)-82BVM8E6TNNSC 38889NSC-38889DTXSID70223769RefChem:97141DTXCID50146260461-510-0691-245-87357-67-7

Show more names

Gefitinib iMpurity A4-(3-ChLNSC 28831)-morphoLN-(3-Chloropropyl)MIFLAB-BB F2108-0002Gefitinib IMpurity VIGefitinib Impurity 81

1-Chloro-3-morpholinopropane3-Morpholinopropyl chlorideMFCD000397144-(3-Chloro-propyl)-morpholinechloropropylmorpholine4-(3-chloropropyl)-morpholineUNII-82BVM8E6TN4-(3-chloropropyl) morpholine

Database identifiers

CAS: 7357-67-7
PubChem CID: 95834
DTXSID: DTXSID70223769
UNII: 82BVM8E6TN
EC Number: 461-510-0、691-245-8、943-703-6
Nikkaji: J46.692A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 83.7

Physicochemical properties

Melting point: NA
Boiling point: 115 °C/25mmHg · 115°C/25mmHg(lit.)
Density: 1.0409 g/cm3 · 1.0409 g/cm3
RTECS: 488000 · QE0488000
refractive index: 1.472 · 1.4720-1.4760
Flash point: 91 °C · 91 °C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 7.03 · 7.03±0.10(Predicted)
Specific Gravity: 1.08 · 1.08
color: Colourless to Yellow
InChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey: PQECODMSWJOUAT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCOCC1
CAS DataBase Reference: 7357 · 7357-67-7(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory InformationStatus: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28401

Hazard Classes and Categories · 3 items

Acute Tox. 4 (50%)

Acute Tox. 4 (62.5%)

Acute Tox. 4 (100%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H335-H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Description4-(3-Chloropropyl)morpholine is a hydrochloride salt of the potent inhibitor 4-(3-chloropropyl)morpholine. It has an inhibitory effect on cancer, and is used in chromatographic science to separate amines from aliphatic hydrocarbons. 4-(3-Chloropropyl)morpholine inhibits epidermal growth factor (EGF) and has been shown to have a potent inhibitory effect on EGF receptor tyrosine kinase activity. It also inhibits the proliferation of cells by inhibiting DNA synthesis. This compound causes cell death through the inhibition of protein synthesis, which may be due to its ability to inhibit nucleophilic reactions that are involved in protein synthesis. 4-(3-Chloropropyl)morpholine can also fluoresce under UV light, which makes it useful for research purposes.

UsesGefitinib intermediate.