Basic information
- CAS
63224-35-1- Standard SMILES
S=C=NCCN1CCOCC1- InChIKey
SDNSCXCXVQHBGH-UHFFFAOYSA-N- Molecular formula
- C7H12N2OS
- Average molar mass
- 172.25 g/mol
- Monoisotopic mass
- 172.067034
Names & identifiers
- Preferred name
- 2-Morpholinoethyl isothiocyanate
- IUPAC
- 4-(2-isothiocyanatoethyl)morpholine
- English name
- 2-(4-Morpholino)ethyl isothiocyanate
- Molecular formula
- C7H12N2OS
- Molecular weight
- 172.25
Names & synonyms
2-Morpholinoethyl isothiocyanate63224-35-1DTXSID20212603RefChem:88422DTXCID10135094SDNSCXCXVQHBGH-UHFFFAOYSA-N4-(2-Isothiocyanatoethyl)morpholine2-(4-Morpholino)ethyl isothiocyanateMFCD000412212-(4-morpholinyl)ethyl isothiocyanate4-(2-isothiocyanato-ethyl)-morpholine2-Morpholinoethylisothiocyanate
Show more names
2-Morpholinoethyl isothiocyate, 98%Morpholine, 4-(2-isothiocyanatoethyl)-2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE,96%2-(4-Morpholino)ethyl isothiocyanate 96%2-(4-Morpholinyl)ethyl isothiocyanate, 97%
SCHEMBL8384312-morpholin-4-ylethanisothiocyanateNCA22435AKOS0003432704-(2-Isothiocyanatoethyl)morpholine #VS-08634DB-0214032-(4-Morpholino)ethyl isothiocyanate, 96%
Database identifiers
- CAS
63224-35-1- PubChem CID
- 143957
- DTXSID
DTXSID20212603- EC Number
- 627-557-8
- Nikkaji
- J1.712.595H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 163 °C10 · 163 °C10 mm Hg(lit.)
- Density
- 1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5380(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- pka
- 6.27 · 6.27±0.10(Predicted)
- Water Solubility
- Hydrolyzes in water.
- Sensitive
- Moisture Sensitive
- BRN
- 1210530 · 1210530
- InChI
- 1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2
- InChIKey
- SDNSCXCXVQHBGH-UHFFFAOYSA-N
- SMILES
- S=C=NCCN1CCOCC1
- CAS DataBase Reference
- 63224 · 63224-35-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2927
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H334-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses2-(4-Morpholino)ethyl isothiocyanate may be used to synthesize (R,S)-(2-morpholin-4-yl-ethyl)-thiocarbamic acid O-(5-[1,2] dithiolan-3-yl pentyl) ester hydrochloride.
Upstream & downstream products
Downstream products
Suppliers38 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
8 records
Compound notes
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