CAS 104-13-2 4-Butylaniline (HCID 7694)

Names & identifiers

Preferred name: 4-Butylaniline
IUPAC: 4-butylaniline
English name: 4-Butylaniline
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

4-Butylaniline4-n-ButylanilineBenzenamine, 4-butyl-Aniline, p-butyl-DTXSID8021856BRN 1447268p-Butyl anilineEINECS 203-177-44-ButylbenzeneamineDTXCID6018564-12-00-02807 (Beilstein Handbook Reference)RefChem:98249

Show more names

4-butyl-anilin4-N-ButyanilineButylaniline,98%Aniline, 4-butyl-AKOS BBS-00003555

203-177-4OGIQUQKNJJTLSZ-UHFFFAOYSA-N104-13-24-Butylbenzenaminep-Butylanilinep-n-Butylanilinep-Aminobutylbenzenep-Butylaminobenzene

Database identifiers

CAS: 104-13-2
PubChem CID: 7694
DTXSID: DTXSID8021856
ChEMBL: CHEMBL3181902
EC Number: 203-177-4
Nikkaji: J45.014F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 93

Experimental & physicochemical properties

Collision Cross Section149.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8021856]

Physicochemical properties

Melting point: -14 °C · -14°C
Boiling point: 133 · 133-134 °C14 mm Hg(lit.)
Density: 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.535(lit.)
Flash point: 215 °F · 215 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 4.91 · 4.91±0.10(Predicted)
color: Clear yellow to slightly brown
Sensitive: Air Sensitive
BRN: 1447268 · 1447268
InChI: InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey: OGIQUQKNJJTLSZ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CCCC)C=C1
CAS DataBase Reference: 104 · 104-13-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 4 · Benzenamine, 4-butyl-(104-13-2)
EPA Substance Registry System: p-Butylaniline (104-13-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H335-H412
Precautionary statements: 273 · P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 23 · 23/24/25-36/37/38
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 9470000 · BW9470000
TSCA: TSCA listed
HS Code: 29214980 · 29214980
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity: 50 · mouse,LD50,intraperitoneal,81mg/kg (81mg/kg),Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (85.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenamine, 4-butyl-

Benzenamine, 4-butyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: BW9470000
ridadr: UN 2810 6.1/PG 3
hs_code: 29214980
Toxicity: mouse,LD50,intraperitoneal,81mg/kg (81mg/kg),Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.
risk_code: 23/24/25-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 23-26-36/37/39-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301+H311+H331-H315-H319-H335-H412
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-butyl-: ACTIVE

Applications

Uses4-Butylaniline is used in the fabrication of RP/ion-exchange, mixed-mode, monolithic materials for capillary LC.

Suppliers100 total

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

52 records

New reaction record

HRID 142249As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150202As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 154498As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156136As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 228005As reactantuspto-grants-2009_07

HRID 268243As reactantuspto-grants-1976_03

HRID 277288As reactantuspto-grants-2002_03

HRID 282055As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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4-Butylaniline

Basic information