3-Chloro-4-iodoaniline (HCID 282926)

Names & identifiers

Preferred name: 3-Chloro-4-iodoaniline
IUPAC: 3-chloro-4-iodoaniline
English name: 3-CHLORO-4-IODOANILINE
Molecular formula: C6H5ClIN
Molecular weight: 253.47

Names & synonyms

3-Chloro-4-iodoaniline135050-44-13-chloro-4-iodobenzenamineDTXSID00300451RefChem:499992DTXCID10251586603-892-53-chloro-4-iodo-anilineMFCD00051845Benzenamine, 3-chloro-4-iodo-3-chloro4-iodoaniline3-Chloro-4-iodo aniline

Show more names

3-Chloro-4-iodo-phenylamine3-Chloro-4-iodoaniline,98%3-Chloro-4-iodoaniline >3-Chloro-4-iodobenzenamine4-Amino-2-chloroiodobenzene3-Chloro-4-iodoaniline, 95.0%(GC)

SCHEMBL7912593-Chloro-4-iodoaniline, 97%CS-W014090FD10487PS-7438SY0144623-chloro-4-iodophenylamineNSC137036

Database identifiers

CAS: 135050-44-1
PubChem CID: 282926
DTXSID: DTXSID00300451
EC Number: 603-892-5
Nikkaji: J597.368F

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 65 · 65-70 °C
Boiling point: 312.8 · 312.8±27.0 °C(Predicted)
Density: 1.9011 · 1.9011 (estimate)
Flash point: 143 ℃ · 143℃
storage temp.: 2 · 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: 2.75 · 2.75±0.10(Predicted)
color: White to Amber to Dark purple
Sensitive: Light Sensitive
BRN: 3236464 · 3236464
InChI: InChI=1S/C6H5ClIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey: ONZHMGRKWJMTDE-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(I)C(Cl)=C1
CAS DataBase Reference: 135050 · 135050-44-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26
RIDADR: 2811 · UN2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (89.1%)

Safety data

wgk: 3
ridadr: UN2811
hs_code: 29214200
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37/39-26
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338