Aniline hemisulfate

HCID 10951
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
542-16-5
Standard SMILES
Nc1ccccc1.Nc1ccccc1.O=S(=O)(O)O
InChIKey
FUKMEFZGEMVGLD-UHFFFAOYSA-N
Molecular formula
C12.H16.N2.O4.S
Average molar mass
284.33 g/mol
Monoisotopic mass
284.08307799

Names & identifiers

Preferred name
Aniline hemisulfate
IUPAC
aniline;sulfuric acid
English name
Aniline sulfate
Molecular formula
C12H16N2O4S
Molecular weight
284.33

Names & synonyms

542-16-5Benzenamine, sulfate (2:1)Aniline hemisulfateDianilinium sulphate3BM77321CWANILINE HEMISULPHATEANILINUM SULPHURICUMANILINE HEMISULFATE [MI]DTXSID20883433ANILINUM SULPHURICUM [HPUS]EINECS 208-805-0BENZENAMINE, SULPHATE (2:1)
Show more names
ANILINE SULFATEANILINE SULPHATEAnilinium SulfateDianilinium sulfateAniline sulfate 98%Benzenamine, sulfateANILINE SULFATE REAGENTBenzenamine,sulfate(2:1)
RefChem:558107DTXCID401022964208-805-0aniline;sulfuric acidMFCD00013110Aniline sulfate saltAniline sulfate, 98%SCHEMBL167326

Database identifiers

CAS
542-16-5
PubChem CID
10951
DTXSID
DTXSID20883433
UNII
3BM77321CW
EC Number
208-805-0

Properties

Computed structural properties

Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
19

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Density1.38 @25 °C
Physical DescriptionSolid; Darkened by air and light; [Merck Index] White odorless powder; [Alfa Aesar MSDS]

Physicochemical properties

Density
1.38 · 1.38
solubility
5 %, · water: soluble5%, clear, colorless
form
powder
color
Nearly white
Water Solubility
Soluble in water
BRN
3729533 · 3729533

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (90.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenamine, sulfate (2:1)

Benzenamine, sulphate (2:1): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Aniline and its salts
Hazards Summary · 1 item

May cause serious eye injury, skin sensitization, and methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; Prolonged or repeated exposure may cause organ injury; Suspected carcinogen and mutagen; [Alfa Aesar MSDS] See Aniline. See Orthanilic acid.

Hazard Classes and CategoriesAcute Tox. 3 (100%)
Lower Explosive Limit (LEL)13000 [ppm]

Safety & protection

Protective Action Criteria (PAC) · 3 items

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29214200
risk_code
23/24/25-40-41-43-48/23/24/25-50-68
Signal word
Danger

Chemistry & industry

Uses & manufacturing

UsesUsed to make dyes, drugs, resins, varnishes, perfumes, and shoe blacks; Also used for vulcanizing rubber and as a solvent; [Merck Index]
General Manufacturing InformationBenzenamine, sulfate (2:1): ACTIVE

Applications

UsesAniline sulfate was used as an internal standard in the stereoselective disposition of methamphetamine (MAP, a widely abused drug) study.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…