CAS 2493-02-9 4-Bromophenyl isocyanate (HCID 75609)

Names & identifiers

Preferred name: 4-Bromophenyl isocyanate
IUPAC: 1-bromo-4-isocyanatobenzene
English name: 4-BROMOPHENYL ISOCYANATE
Molecular formula: C7H4BrNO
Molecular weight: 198.02

Names & synonyms

4-Bromophenyl isocyanate2493-02-9p-Bromophenyl isocyanate4-Bromophenylisocyanate4-bromophenylcarbimideIsocyanic acid, p-bromophenyl esterMGR77M31ZWP-BROMOPHENYLCARBONIMIDENSC 8037NSC-8037EINECS 219-662-9UNII-MGR77M31ZW

Show more names

p-BromocarbanilBroMo-4-isocyanatobenzene4-Bromophenylisocyanate,99%1-bromo-4-isocyanato-benzen

DTXSID1062465Isocyanic acid p-bromophenyl esterP-BROMOPHENYL ISOCYANATE [MI]RefChem:98215DTXCID3037177CZQIJQFTRGDODI-UHFFFAOYSA-NIsocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)1-Bromo-4-isocyanatobenzene

Database identifiers

CAS: 2493-02-9
PubChem CID: 75609
DTXSID: DTXSID1062465
UNII: MGR77M31ZW
EC Number: 219-662-9
Nikkaji: J7.593K

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 42 · 42-44 °C(lit.)
Boiling point: 158 °C14 · 158 °C14 mm Hg(lit.)
Density: 1.6077 · 1.6077 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
Flash point: 229 °F · 229 °F
storage temp.: Refrigerator (+4°C)
solubility: diethyl ether: very slightly soluble
form: Crystalline Solid
color: White to light beige
Water Solubility: Sparingly soluble in water (0.40 g/L at 25°C).
Sensitive: Moisture Sensitive
Merck: 14 · 14,1430
BRN: 508203 · 508203
InChI: 1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)N=C=O
CAS DataBase Reference: 2493 · 2493-02-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 77 M31ZW · MGR77M31ZW
EPA Substance Registry System: p-Bromophenyl isocyanate (2493-02-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 331 · H331-H315-H319-H335
Precautionary statements: 501 · P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P311-P403+P233-P405
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 7 · 7-26-27-36/37/39
RIDADR: 2206 · 2206
WGK Germany: 3 · 3
RTECS: 9035500 · CY9035500
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29291090 · 29291090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H312 (89.4%): 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 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (14.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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 (89.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (89.4%)；Resp. Sens. 1 (14.9%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: CY9035500
ridadr: 2206
hs_code: 29291090
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
safety_code: 7-26-27-36/37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H331-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P311-P403+P233-P405