N-butyl-2-chloroacetamide

HCID 219645CAS 5349-24-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCNC(=O)CCl
InChIKey
XBTFKFOPYRYZDH-UHFFFAOYSA-N
Molecular formula
C6H12ClNO
Average molar mass
149.62 g/mol
Monoisotopic mass
149.0607417

Names & identifiers

Preferred name
N-butyl-2-chloroacetamide
IUPAC
N-butyl-2-chloroacetamide
English name
N-Butyl-2-chloro-acetamide
Molecular formula
C6H12ClNO
Molecular weight
149.62

Names & synonyms

n-butyl-2-chloroacetamideDTXSID20277217RefChem:829390DTXCID70228375893-684-2N-Butyl-2-chloro-acetamide5349-24-6MFCD00776256Acetamide, N-butyl-2-chloro-NSC-1194N-ButylchloroacetamideNSC1194
Show more names
TIMTEC-BB SBB010319ASINEX-REAG BAS 02927056N-BUTYL-2-CHLORACETAMIDEN-butyl-2-chloro-ethanamide
[N-(n-butyl)aminocarbonylmethyl]chloride2-Chloro-n-butylacetamide2UR7NWC4RKN-n-butyl-2-chloroacetamidealpha-Chloro-n-butylacetamideSCHEMBL4184861SCHEMBL4676153CHEMBL3334598

Database identifiers

CAS
5349-24-6
PubChem CID
219645
DTXSID
DTXSID20277217
ChEMBL
CHEMBL3334598
UNII
2UR7NWC4RK
EC Number
893-684-2
Nikkaji
J1.012.086A

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
9

Physicochemical properties

Melting point
96.5 °C · 96.5 °C(Solv: benzene (71-43-2))
Boiling point
110 °C · 110 °C(Press: 7.0 Torr)
Density
1.032 · 1.032±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
14.38 · 14.38±0.46(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2924297099
risk_code
22
hazard_code
Xi,Xn
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers44 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

5 records
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Linked notes

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