(Butylamino)acetonitrile

HCID 76373

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Basic information

CAS: 3010-04-6
Standard SMILES: CCCCNCC#N
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
Molecular formula: C6H12N2
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.10004839

Names & identifiers

Preferred name: (Butylamino)acetonitrile
IUPAC: 2-(butylamino)acetonitrile
English name: (N-Butylamino)acetonitrile
Molecular formula: C6H12N2
Molecular weight: 112.17

Names & synonyms

(Butylamino)acetonitrileDTXSID90184186EINECS 221-132-7NSC 103146RefChem:405973DTXCID00106677221-132-7(n-Butylamino)acetonitrile2-(butylamino)acetonitrile3010-04-6N-n-ButylaminoacetonitrileAcetonitrile, (butylamino)-

Show more names

(Butylamino)acetonitrile 97%Acetonitrile, 2-(butylamino)-(n-Butylamino)acetonitrile,98%(N-BUTYLAMINO)-ACETONITRILE 98%(n-ButylaMino)acetonitrile, 98% 5ML(N-BUTYLAMINO)ACETONITRILE ISO 9001：2015 REACH

butylamino-acetonitrileMFCD00001888NSC-103146NSC1031462-butylaminoacetonitrileJUJ5NAX6ABSCHEMBL442358(Butylamino)acetonitrile, 97%

Database identifiers

CAS: 3010-04-6
PubChem CID: 76373
DTXSID: DTXSID90184186
UNII: JUJ5NAX6AB
EC Number: 221-132-7
Nikkaji: J27.763K

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 79

Physicochemical properties

Boiling point: 85 °C9 · 85 °C9 mm Hg(lit.)
Density: 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 0 · Store at 0-8 °C
InChI: 1S/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
SMILES: CCCCNCC#N
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338