Basic information
- Standard SMILES
Cl.ClCCNCCCl- InChIKey
YMDZDFSUDFLGMX-UHFFFAOYSA-N- Molecular formula
- C4H9Cl2N.ClH
- Average molar mass
- 178.48 g/mol
- Monoisotopic mass
- 176.98788236
Names & identifiers
- Preferred name
- Bis(2-chloroethyl)amine hydrochloride
- IUPAC
- 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
- English name
- Bis(2-chloroethyl)amine hydrochloride
- Molecular formula
- C4H10Cl3N
- Molecular weight
- 178.49
Names & synonyms
Bis(2-chloroethyl)amine hydrochloride821-48-7Bis(2-chloroethyl)ammonium chloridenor-Lost hydrochloridNor-HN2 hydrochlorideDTXSID3052567di(2-chloroethyl)amine hydrochlorideDi-2-chloroethylamine hydrochlorideBi(2-chloroethyl)amine hydrochlorideNSC 10873NSC-108731,5-Dichloro-3-azapentane hydrochloride
Show more names
CyclophosphaMide Related CoMpound AAdomiparinBIS (2-CHLOROETHYL) AMINE HCLis(2-chloroethyl)aMine hydrochloride2-Chloro-N-(2-chloroethyl)ethylamine hydrochloridenc26sk555tl161leo72a
LEO-72ABis(.beta.-chloroethyl)amine hydrochlorideDTXCID4031140LY407360DGNor-lost hydrochlorid [German]Bis(beta-chloroethyl)amine hydrochlorideEthanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)EINECS 212-479-5
Database identifiers
- CAS
821-48-7- PubChem CID
- 522769
- DTXSID
DTXSID3052567- UNII
- LY407360DG
- EC Number
- 212-479-5
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 28.9
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines
Physical DescriptionOff-white powder with an irritating odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 212 · 212-214 °C(lit.)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 100 g/l · >100g/l
- form
- Crystalline Powder
- color
- White to beige
- Water Solubility
- SOLUBLE
- Sensitive
- Hygroscopic
- BRN
- 3550356 · 3550356
- InChI
- InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
- InChIKey
- YMDZDFSUDFLGMX-UHFFFAOYSA-N
- SMILES
- N(CCCl)CCCl.Cl
- CAS DataBase Reference
- 821 · 821-48-7(CAS DataBase Reference)
- FDA UNII
- 407360 DG · LY407360DG
- NIST Chemistry Reference
- 2 · 2,2'-Dichlorodiethylamine hydrochloride(821-48-7)
- EPA Substance Registry System
- 2 · Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (821-48-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 290 · H290-H302-H314
- Precautionary statements
- 234 · P234-P260-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,T,C
- Risk Statements
- 36 · 36/37/38-36-34
- Safety Statements
- 26 · 26-45-36/37/39-27
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 1225000 · IA1225000
- Hazard Note
- Irritant/Toxic
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29211980 · 29211980
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1150 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (16.2%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
Status: Active Update: 07-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19951
Bis(2-chloroethyl)ammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; May cause skin sensitization; Harmful by ingestion; Toxic by inhalation; Risk of irreversible adverse health effects; Suspected mutagen; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS] See 1-Chloro-2-(diethylamine)ethane hydrochloride, N,N-Dimethylaminoethyl chloride hydrochloride, and 2-Chloro-N,N-dimethyl-1-propanamine hydrochloride. Search for (821-48-7[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesMet. Corr. 1 (16.2%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (mouse) = 1,000 mg/m3/10min
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- IA1225000
- ridadr
- 2811
- hs_code
- 29211980
- Toxicity
- LD50 orally in Rabbit: 1150 mg/kg
- risk_code
- 36/37/38-36-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,T,C
- hazard_note
- Irritant/Toxic
- safety_code
- 26-45-36/37/39-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H290-H302-H314
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P234-P260-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1): ACTIVE
Applications
UsesA cytotoxic metabolite of Cyclophosphamide; a deuterated analog of Nor-nitrogen mustard.
UsesBis(2-chloroethyl)amine hydrochloride is used as an intermediate in chemicals synthesis and building block for piperazine derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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