CAS 776-34-1 4-Nitro-1-naphthylamine (HCID 13057)

Names & identifiers

Preferred name: 4-Nitro-1-naphthylamine
IUPAC: 4-nitronaphthalen-1-amine
English name: 4-Nitro-1-naphthylamine
Molecular formula: C10H8N2O2
Molecular weight: 188.18

Names & synonyms

4-Nitro-1-naphthylamine1-Amino-4-nitronaphthalene1-NAPHTHYLAMINE, 4-NITRO-4-Nitro-1-naphthalenamineEINECS 212-277-7BRN 2211897AI3-62662DTXSID602282634-12-00-03114 (Beilstein Handbook Reference)RefChem:100008DTXCID80150754212-277-7

Show more names

NSC614NSC 61408890_FLUKAZINC04284753A70003_ALDRICH

BVPJPRYNQHAOPQ-UHFFFAOYSA-N776-34-14-nitronaphthalen-1-amine1-Naphthalenamine, 4-nitro-1,4-Nitronaphthylamine4-Nitro-1-naphthamine4-nitronaphthylamine4-Nitro-naphthalen-1-ylamine

Database identifiers

CAS: 776-34-1
PubChem CID: 13057
DTXSID: DTXSID60228263
ChEMBL: CHEMBL2312201
EC Number: 212-277-7
Nikkaji: J40.475F

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Experimental & physicochemical properties

Kovats Retention Index368.6

Physicochemical properties

Melting point: 190 · 190-193 °C(lit.)
Boiling point: 419 · 419.0±25.0 °C(Predicted)
Density: 1.366 · 1.366±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 1.31 · 1.31±0.10(Predicted)
color: Light yellow to Brown
BRN: 2211897 · 2211897
InChI: 1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
InChIKey: BVPJPRYNQHAOPQ-UHFFFAOYSA-N
SMILES: Nc1ccc([N+]([O-])=O)c2ccccc12
CAS DataBase Reference: 776 · 776-34-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 1 · 1-Naphthalenamine, 4-nitro-(776-34-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 4370000 · QM4370000
HS Code: 29214500 · 29214500
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: QM4370000
hs_code: 29214500
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

1,4-Dinitronaphthalene 1,4-Diaminonaphthalene 3-Bromo-1-hydroxynaphthalene 2-Nitro-1-naphthylamine 1-nitro-2-naphthylamine Benzo[f][4,7]phenanthroline

Suppliers80 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

13 records

New reaction record

HRID 27824As reactantuspto-grants-1980_09

HRID 27825As reactantuspto-grants-1980_09

HRID 94950As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165708As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 257598As productuspto-grants-1993_11

HRID 259897As reactantuspto-grants-1996_06

HRID 276470As reactantuspto-grants-2002_03

HRID 276485As reactantuspto-grants-2002_03

Compound notes

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Basic information