CAS 3647-69-6 Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1) (HCID 77210)

Names & identifiers

Preferred name: Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)
IUPAC: 4-(2-chloroethyl)morpholine;hydrochloride
English name: 4-(2-Chloroethyl)morpholine hydrochloride
Molecular formula: C6H13Cl2NO
Molecular weight: 186.08

Names & synonyms

4-(2-Chloroethyl)morpholine hydrochloride3647-69-6N-(2-Chloroethyl)morpholine hydrochlorideMorpholine, 4-(2-chloroethyl)-, hydrochloride2-Morpholinoethylchloride hydrochlorideChloromorpholinoethane hydrochloride(2-Chloroethyl)morpholine hydrochloride4-(2-Chloroethyl)morpholinium chlorideEINECS 222-881-2NSC 10003NSC 46824AI3-16221

Show more names

MOCMOCPRF4-(2-ChLine hydrochLChloroethyl Morpholine HCIVortioxetine Impurity 70 HCl2-ChloroethylmorpholineHcl98%Vortioxetine Impurity 69 DiHCl

Morpholine, (2-chloroethyl)-, hydrochlorideN-(beta-Chloroethyl)morpholine-hydrochlorideMorpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)RefChem:8194764(2Chloroethyl)morpholinium chloride2Morpholinoethylchloride hydrochloride(2Chloroethyl)morpholine hydrochlorideN(2Chloroethyl)morpholine hydrochloride

Database identifiers

CAS: 3647-69-6
PubChem CID: 77210
DTXSID: DTXSID0052043
UNII: S9S74LB75C
EC Number: 222-881-2

Properties

Computed structural properties

Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 73

Physicochemical properties

Melting point: 180 · 180-185 °C (dec.)(lit.)
storage temp.: 30 °C · Store below +30°C.
solubility: Chloroform (Slightly, Heated), Methanol (Slightly), Water (Slightly)
form: Hygroscopic Crystalline Powder
color: White to beige
PH: 4.5 · 4.5-5 (10g/l, H2O, 20℃)
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 3684083 · 3684083
InChI: InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKey: NBJHDLKSWUDGJG-UHFFFAOYSA-N
SMILES: C1OCCN(CCCl)C1.[H]Cl
CAS DataBase Reference: 3647 · 3647-69-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · Morpholine, 4-(2-chloroethyl)-, hydrochloride (3647-69-6)
UNSPSC Code: 12352107 · 12352107
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312-H314-H317-H412
Precautionary statements: 260 · P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 21 · 21-25-34-43-52/53
Safety Statements: 26 · 26-36/37/39-45-61
RIDADR: 2923 · UN 2923 8/PG 3
WGK Germany: 2 · 2
RTECS: 260000 · QE0260000
Autoignition Temperature: 365 °C · 365 °C
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Toxicity: 50 orally · LD50 orally in Rabbit: 96 mg/kg LD50 dermal Rat 1502 mg/kg
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: QE0260000
ridadr: UN 2923 8/PG 3
hs_code: 29349990
Toxicity: LD50 orally in Rabbit: 96 mg/kg LD50 dermal Rat 1502 mg/kg
risk_code: 21-25-34-43-52/53
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45-61
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H312-H314-H317-H412
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Autoignition Temperature: 365 °C
Precautionary statements: P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

Uses4-(2-Chloroethyl)morpholine hydrochloride (MOC) is used as intermediate for the synthesis of pharmaceuticals (e.g. floredil, morinamide, nimorazole and pholcodine). It is also used as Agrochemical Intermediates, dyestuff Intermediates.

Uses4-(2-Chloroethyl)morpholine is used in the preparation of potential DNA cross-linking antitumor agents as well as synthetic opiate analogues. 4-(2-Chloroethyl)morpholine may possess sickle-cell hemogl obin aggregation inhibiting-activity.

Upstream & downstream products

Upstream raw materials

Downstream products

4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID 4-(2-Chloroethyl)morpholine 5-Methyl-2-(2-morpholinoethyl)-6-phenyl-3(2H)-pyridazinone 4-[2-(3-NITROPHENOXY)ETHYL]MORPHOLINE hexyl[2-(morpholin-4-yl)ethyl]amine 2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one 4-[2-(4-bromo-1H-imidazol-1-yl)ethyl]morpholine [2-(2-MORPHOLINOETHOXY)PHENYL]METHANOL 2-(2-MORPHOLINOETHOXY)BENZALDEHYDE

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

绍兴泓达医药科技有限公司18072995930 · [email protected]

Related reactions

418 records

New reaction record

HRID 7324As reactantuspto-grants-2006_08

HRID 10176As reactantuspto-grants-2006_08

HRID 11427As reactantuspto-grants-2006_08

HRID 28400As reactantuspto-grants-2008_09

HRID 33439As reactantuspto-grants-2008_09

HRID 41729As reactantuspto-grants-2013_09

HRID 47115As reactantuspto-grants-1979_11

HRID 55637As reactantuspto-grants-1997_04

Compound notes

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Basic information